CID 12859572

1-methylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C8H13N
SMILES
CC1(CCCCC1)C#N
InChI
InChI=1S/C8H13N/c1-8(7-9)5-3-2-4-6-8/h2-6H2,1H3
InChIKey
KYVFVCXSNCUBTI-UHFFFAOYSA-N
Compound name
1-methylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

123.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 128.4
[M+Na]+ 146.09402 139.3
[M+NH4]+ 141.13862 135.9
[M+K]+ 162.06796 128.1
[M-H]- 122.09752 123.8
[M+Na-2H]- 144.07947 133.4
[M]+ 123.10425 127.9
[M]- 123.10535 127.9
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