CID 58762663

Tert-butyl n-(3-cyclopentyl-3-oxopropyl)carbamate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)NCCC(=O)C1CCCC1
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-8-11(15)10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,14,16)
InChIKey
WSKUZOYFYUOYRT-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-cyclopentyl-3-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

241.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.175076 160.2
[M+Na]+ 264.157018 163.3
[M-H]- 240.160524 162.6
[M+NH4]+ 259.201623 178.9
[M+K]+ 280.130958 162.8
[M+H-H2O]+ 224.165060 154.4
[M+HCOO]- 286.166001 179.7
[M+CH3COO]- 300.181651 193.3
[M+Na-2H]- 262.142466 160.9
[M]+ 241.16725142 159.5
[M]- 241.16834858 159.5
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