CID 12388955

2-(methylamino)cyclohex-2-en-1-one

Structural Information

Molecular Formula
C7H11NO
SMILES
CNC1=CCCCC1=O
InChI
InChI=1S/C7H11NO/c1-8-6-4-2-3-5-7(6)9/h4,8H,2-3,5H2,1H3
InChIKey
WDLOOXNSHGYRSN-UHFFFAOYSA-N
Compound name
2-(methylamino)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

125.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 123.7
[M+Na]+ 148.07328 130.3
[M-H]- 124.07678 127.3
[M+NH4]+ 143.11788 145.7
[M+K]+ 164.04722 129.2
[M+H-H2O]+ 108.08132 118.4
[M+HCOO]- 170.08226 147.5
[M+CH3COO]- 184.09791 173.0
[M+Na-2H]- 146.05873 130.7
[M]+ 125.08351 120.4
[M]- 125.08461 120.4
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