CID 3052840

69352-89-2

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1(CCC=CC1)C(=O)N
InChI
InChI=1S/C8H13NO/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H2,9,10)
InChIKey
QLTVNOWJTFRSSC-UHFFFAOYSA-N
Compound name
1-methylcyclohex-3-ene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

139.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.7
[M+Na]+ 162.088938 135.5
[M-H]- 138.092444 132.6
[M+NH4]+ 157.133543 152.5
[M+K]+ 178.062878 134.6
[M+H-H2O]+ 122.096980 124.9
[M+HCOO]- 184.097921 151.5
[M+CH3COO]- 198.113571 174.6
[M+Na-2H]- 160.074386 135.5
[M]+ 139.09917142 125.0
[M]- 139.10026858 125.0
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