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

54
Patents

123.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 124.5
[M+Na]+ 146.09402 132.8
[M-H]- 122.09752 127.8
[M+NH4]+ 141.13862 144.9
[M+K]+ 162.06796 130.4
[M+H-H2O]+ 106.10206 113.3
[M+HCOO]- 168.10300 142.1
[M+CH3COO]- 182.11865 185.0
[M+Na-2H]- 144.07947 129.9
[M]+ 123.10425 115.9
[M]- 123.10535 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