CID 165957243

Tert-butyl n-[(1-acetylcyclopentyl)methyl]carbamate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(=O)C1(CCCC1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO3/c1-10(15)13(7-5-6-8-13)9-14-11(16)17-12(2,3)4/h5-9H2,1-4H3,(H,14,16)
InChIKey
WZSCMTUEYDQBHB-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-acetylcyclopentyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.175076 158.6
[M+Na]+ 264.157018 162.8
[M-H]- 240.160524 161.4
[M+NH4]+ 259.201623 179.5
[M+K]+ 280.130958 162.4
[M+H-H2O]+ 224.165060 154.2
[M+HCOO]- 286.166001 178.2
[M+CH3COO]- 300.181651 192.9
[M+Na-2H]- 262.142466 160.8
[M]+ 241.16725142 158.3
[M]- 241.16834858 158.3
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.