CID 260707

2,2-dimethylcyclopropyl cyanide

Structural Information

Molecular Formula
C6H9N
SMILES
CC1(CC1C#N)C
InChI
InChI=1S/C6H9N/c1-6(2)3-5(6)4-7/h5H,3H2,1-2H3
InChIKey
CZPCJHBAFHCDRE-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

95.0735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 114.5
[M+Na]+ 118.062718 131.2
[M-H]- 94.066224 122.0
[M+NH4]+ 113.107323 135.3
[M+K]+ 134.036658 127.0
[M+H-H2O]+ 78.070760 107.1
[M+HCOO]- 140.071701 136.9
[M+CH3COO]- 154.087351 184.5
[M+Na-2H]- 116.048166 124.4
[M]+ 95.07295142 114.6
[M]- 95.07404858 114.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe