CID 165652578

Tert-butyln-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)NCC1CC(=O)C=C1
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-7-8-4-5-9(13)6-8/h4-5,8H,6-7H2,1-3H3,(H,12,14)
InChIKey
FHGOJMBGJCQOGY-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 148.4
[M+Na]+ 234.11007 154.7
[M-H]- 210.11357 151.9
[M+NH4]+ 229.15467 168.9
[M+K]+ 250.08401 153.9
[M+H-H2O]+ 194.11811 143.2
[M+HCOO]- 256.11905 171.1
[M+CH3COO]- 270.13470 187.2
[M+Na-2H]- 232.09552 151.7
[M]+ 211.12030 149.4
[M]- 211.12140 149.4
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

No patent data available for this compound.