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

11
Patents

125.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 123.7
[M+Na]+ 148.073278 130.3
[M-H]- 124.076784 127.3
[M+NH4]+ 143.117883 145.7
[M+K]+ 164.047218 129.2
[M+H-H2O]+ 108.081320 118.4
[M+HCOO]- 170.082261 147.5
[M+CH3COO]- 184.097911 173.0
[M+Na-2H]- 146.058726 130.7
[M]+ 125.08351142 120.4
[M]- 125.08460858 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