CID 155820227

2567503-05-1

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CCCC1=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-12(4)7-5-6-9(12)14/h5-8H2,1-4H3,(H,13,15)
InChIKey
JUIPHNJGNQTDIZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-methyl-2-oxocyclopentyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 152.8
[M+Na]+ 250.14137 158.6
[M-H]- 226.14487 156.1
[M+NH4]+ 245.18597 174.7
[M+K]+ 266.11531 158.0
[M+H-H2O]+ 210.14941 148.7
[M+HCOO]- 272.15035 173.7
[M+CH3COO]- 286.16600 190.2
[M+Na-2H]- 248.12682 156.2
[M]+ 227.15160 153.2
[M]- 227.15270 153.2
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

No patent data available for this compound.