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

872
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]+ 118.062718 129.8
[M-H]- 94.066224 121.6
[M+NH4]+ 113.107323 133.6
[M+K]+ 134.036658 125.7
[M+H-H2O]+ 78.070760 106.0
[M+HCOO]- 140.071701 136.7
[M+CH3COO]- 154.087351 184.7
[M+Na-2H]- 116.048166 123.3
[M]+ 95.07295142 113.7
[M]- 95.07404858 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