CID 14201343

2-methylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C8H13N
SMILES
CC1CCCCC1C#N
InChI
InChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-5H2,1H3
InChIKey
BHPVHUWELLQKHU-UHFFFAOYSA-N
Compound name
2-methylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

123.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 124.5
[M+Na]+ 146.094018 132.8
[M-H]- 122.097524 127.8
[M+NH4]+ 141.138623 144.9
[M+K]+ 162.067958 130.4
[M+H-H2O]+ 106.102060 113.3
[M+HCOO]- 168.103001 142.1
[M+CH3COO]- 182.118651 185.0
[M+Na-2H]- 144.079466 129.9
[M]+ 123.10425142 115.9
[M]- 123.10534858 115.9
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