CID 87519607

Tert-butyl n-(1-cyclopentyl-3-oxopropyl)carbamate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)NC(CC=O)C1CCCC1
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(8-9-15)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H,14,16)
InChIKey
XYBBNXIVNWNJSG-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyclopentyl-3-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 160.2
[M+Na]+ 264.15702 163.3
[M-H]- 240.16052 162.6
[M+NH4]+ 259.20162 178.9
[M+K]+ 280.13096 162.8
[M+H-H2O]+ 224.16506 154.4
[M+HCOO]- 286.16600 179.7
[M+CH3COO]- 300.18165 193.3
[M+Na-2H]- 262.14247 160.9
[M]+ 241.16725 159.5
[M]- 241.16835 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