CID 10057496

2,2-dimethylcyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C8H13N
SMILES
CC1(CCCC1C#N)C
InChI
InChI=1S/C8H13N/c1-8(2)5-3-4-7(8)6-9/h7H,3-5H2,1-2H3
InChIKey
YFQUNIXBJWWKJZ-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

123.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 125.3
[M+Na]+ 146.09402 135.6
[M+NH4]+ 141.13862 132.6
[M+K]+ 162.06796 126.5
[M-H]- 122.09752 120.0
[M+Na-2H]- 144.07947 129.5
[M]+ 123.10425 124.5
[M]- 123.10535 124.5
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