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

120
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 120.2
[M+Na]+ 118.06272 132.2
[M+NH4]+ 113.10732 126.6
[M+K]+ 134.03666 124.7
[M-H]- 94.066224 121.2
[M+Na-2H]- 116.04817 126.3
[M]+ 95.072951 122.3
[M]- 95.074049 122.3
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