CID 14976610

2-methylcyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC1CCCC1C#N
InChI
InChI=1S/C7H11N/c1-6-3-2-4-7(6)5-8/h6-7H,2-4H2,1H3
InChIKey
ZJIHBZDKEFKVBZ-UHFFFAOYSA-N
Compound name
2-methylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

109.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 121.9
[M+Na]+ 132.07837 131.4
[M-H]- 108.08187 125.3
[M+NH4]+ 127.12297 144.3
[M+K]+ 148.05231 129.1
[M+H-H2O]+ 92.086410 110.6
[M+HCOO]- 154.08735 141.5
[M+CH3COO]- 168.10300 182.2
[M+Na-2H]- 130.06382 126.5
[M]+ 109.08860 114.7
[M]- 109.08970 114.7
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

patents stripe