CID 24744996

204913-01-9

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 154.3
[M+Na]+ 250.14137 160.5
[M+NH4]+ 245.18597 160.3
[M+K]+ 266.11531 159.2
[M-H]- 226.14487 153.3
[M+Na-2H]- 248.12682 155.6
[M]+ 227.15160 154.4
[M]- 227.15270 154.4
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