CID 2751403

N-(3-oxocyclohex-1-en-1-yl)acetamide

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(=O)NC1=CC(=O)CCC1
InChI
InChI=1S/C8H11NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h5H,2-4H2,1H3,(H,9,10)
InChIKey
DFXMZJIZWYNSBP-UHFFFAOYSA-N
Compound name
N-(3-oxocyclohexen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 130.6
[M+Na]+ 176.06820 136.8
[M-H]- 152.07170 134.1
[M+NH4]+ 171.11280 151.4
[M+K]+ 192.04214 135.9
[M+H-H2O]+ 136.07624 125.1
[M+HCOO]- 198.07718 153.5
[M+CH3COO]- 212.09283 177.4
[M+Na-2H]- 174.05365 135.8
[M]+ 153.07843 127.7
[M]- 153.07953 127.7
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