CID 12402550

1-methylcyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC1(CCCC1)C#N
InChI
InChI=1S/C7H11N/c1-7(6-8)4-2-3-5-7/h2-5H2,1H3
InChIKey
OZYDARRKCCHJOL-UHFFFAOYSA-N
Compound name
1-methylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

109.08915 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 122.6
[M+Na]+ 132.07837 132.4
[M-H]- 108.08187 126.2
[M+NH4]+ 127.12297 146.6
[M+K]+ 148.05231 129.5
[M+H-H2O]+ 92.086410 111.9
[M+HCOO]- 154.08735 142.3
[M+CH3COO]- 168.10300 180.8
[M+Na-2H]- 130.06382 128.7
[M]+ 109.08860 115.4
[M]- 109.08970 115.4
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