CID 165998361

Tert-butyl n-{[(3r,4r)-3-cyclopropylpiperidin-4-yl]methyl}carbamate hydrochloride

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CCNC[C@@H]1C2CC2
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-11-6-7-15-9-12(11)10-4-5-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t11-,12+/m0/s1
InChIKey
YKWDGMHUGJYMAV-NWDGAFQWSA-N
Compound name
tert-butyl N-[[(3R,4R)-3-cyclopropylpiperidin-4-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.206706 162.6
[M+Na]+ 277.188648 167.2
[M-H]- 253.192154 166.2
[M+NH4]+ 272.233253 172.8
[M+K]+ 293.162588 163.7
[M+H-H2O]+ 237.196690 155.6
[M+HCOO]- 299.197631 178.2
[M+CH3COO]- 313.213281 197.3
[M+Na-2H]- 275.174096 164.7
[M]+ 254.19888142 160.7
[M]- 254.19997858 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.