CID 83913069

Tert-butyl 3-[(piperidin-4-yl)methyl]azetidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC2CCNCC2
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-12(10-16)8-11-4-6-15-7-5-11/h11-12,15H,4-10H2,1-3H3
InChIKey
ARPBNYXJNFAEGN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(piperidin-4-ylmethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

254.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.206706 164.1
[M+Na]+ 277.188648 165.6
[M-H]- 253.192154 164.9
[M+NH4]+ 272.233253 171.1
[M+K]+ 293.162588 166.7
[M+H-H2O]+ 237.196690 151.1
[M+HCOO]- 299.197631 174.9
[M+CH3COO]- 313.213281 195.0
[M+Na-2H]- 275.174096 164.5
[M]+ 254.19888142 167.6
[M]- 254.19997858 167.6
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

patents stripe