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

218
Patents

109.08915 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 122.6
[M+Na]+ 132.078368 132.4
[M-H]- 108.081874 126.2
[M+NH4]+ 127.122973 146.6
[M+K]+ 148.052308 129.5
[M+H-H2O]+ 92.086410 111.9
[M+HCOO]- 154.087351 142.3
[M+CH3COO]- 168.103001 180.8
[M+Na-2H]- 130.063816 128.7
[M]+ 109.08860142 115.4
[M]- 109.08969858 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