CID 24744996

Tert-butyl n-[(1s,3r)-3-acetylcyclopentyl]carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(=O)[C@@H]1CC[C@@H](C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-8(14)9-5-6-10(7-9)13-11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10+/m1/s1
InChIKey
GUXURKSRCUGCCA-ZJUUUORDSA-N
Compound name
tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 154.5
[M+Na]+ 250.14137 159.1
[M-H]- 226.14487 157.6
[M+NH4]+ 245.18597 174.2
[M+K]+ 266.11531 158.8
[M+H-H2O]+ 210.14941 149.4
[M+HCOO]- 272.15035 174.4
[M+CH3COO]- 286.16600 191.5
[M+Na-2H]- 248.12682 155.2
[M]+ 227.15160 153.9
[M]- 227.15270 153.9
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