CID 70900617

Tert-butyl n-{2-[(piperidin-4-yl)formamido]ethyl}carbamate hydrochloride

Structural Information

Molecular Formula
C13H25N3O3
SMILES
CC(C)(C)OC(=O)NCCNC(=O)C1CCNCC1
InChI
InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-9-8-15-11(17)10-4-6-14-7-5-10/h10,14H,4-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKey
OKJGIKLPRXPNQO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(piperidine-4-carbonylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

271.1896 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.196876 166.4
[M+Na]+ 294.178818 167.4
[M-H]- 270.182324 165.6
[M+NH4]+ 289.223423 179.7
[M+K]+ 310.152758 166.2
[M+H-H2O]+ 254.186860 159.1
[M+HCOO]- 316.187801 182.1
[M+CH3COO]- 330.203451 198.5
[M+Na-2H]- 292.164266 168.4
[M]+ 271.18905142 161.4
[M]- 271.19014858 161.4
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