CID 50987857

4-ethylcyclohex-1-ene-1-carbonitrile

Structural Information

Molecular Formula
C9H13N
SMILES
CCC1CCC(=CC1)C#N
InChI
InChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h5,8H,2-4,6H2,1H3
InChIKey
QINNUVWYMDPAJA-UHFFFAOYSA-N
Compound name
4-ethylcyclohexene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.1048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 127.8
[M+Na]+ 158.09402 136.6
[M-H]- 134.09752 131.1
[M+NH4]+ 153.13862 147.8
[M+K]+ 174.06796 133.8
[M+H-H2O]+ 118.10206 116.4
[M+HCOO]- 180.10300 146.3
[M+CH3COO]- 194.11865 187.4
[M+Na-2H]- 156.07947 133.5
[M]+ 135.10425 120.7
[M]- 135.10535 120.7
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

No patent data available for this compound.