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

27
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 154.5
[M+Na]+ 250.141368 159.1
[M-H]- 226.144874 157.6
[M+NH4]+ 245.185973 174.2
[M+K]+ 266.115308 158.8
[M+H-H2O]+ 210.149410 149.4
[M+HCOO]- 272.150351 174.4
[M+CH3COO]- 286.166001 191.5
[M+Na-2H]- 248.126816 155.2
[M]+ 227.15160142 153.9
[M]- 227.15269858 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