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]+ 255.20671 162.6
[M+Na]+ 277.18865 167.2
[M-H]- 253.19215 166.2
[M+NH4]+ 272.23325 172.8
[M+K]+ 293.16259 163.7
[M+H-H2O]+ 237.19669 155.6
[M+HCOO]- 299.19763 178.2
[M+CH3COO]- 313.21328 197.3
[M+Na-2H]- 275.17410 164.7
[M]+ 254.19888 160.7
[M]- 254.19998 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.