CID 22718913

2-cyclopropylpropanenitrile

Structural Information

Molecular Formula
C6H9N
SMILES
CC(C#N)C1CC1
InChI
InChI=1S/C6H9N/c1-5(4-7)6-2-3-6/h5-6H,2-3H2,1H3
InChIKey
XIXPBVLOLRFPNE-UHFFFAOYSA-N
Compound name
2-cyclopropylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1032
Patents

95.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 115.0
[M+Na]+ 118.06272 129.8
[M-H]- 94.066224 121.6
[M+NH4]+ 113.10732 133.6
[M+K]+ 134.03666 125.7
[M+H-H2O]+ 78.070760 106.0
[M+HCOO]- 140.07170 136.7
[M+CH3COO]- 154.08735 184.7
[M+Na-2H]- 116.04817 123.3
[M]+ 95.072951 113.7
[M]- 95.074049 113.7
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