CID 12768628

3-cyclopropylpropanenitrile

Structural Information

Molecular Formula
C6H9N
SMILES
C1CC1CCC#N
InChI
InChI=1S/C6H9N/c7-5-1-2-6-3-4-6/h6H,1-4H2
InChIKey
INDZKZONOLGFIL-UHFFFAOYSA-N
Compound name
3-cyclopropylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

95.0735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 114.2
[M+Na]+ 118.06272 129.4
[M-H]- 94.066224 120.8
[M+NH4]+ 113.10732 132.9
[M+K]+ 134.03666 124.9
[M+H-H2O]+ 78.070760 105.3
[M+HCOO]- 140.07170 136.9
[M+CH3COO]- 154.08735 184.0
[M+Na-2H]- 116.04817 123.8
[M]+ 95.072951 113.6
[M]- 95.074049 113.6
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