CID 59420140

3-cyclopropylprop-2-enenitrile

Structural Information

Molecular Formula
C6H7N
SMILES
C1CC1/C=C/C#N
InChI
InChI=1S/C6H7N/c7-5-1-2-6-3-4-6/h1-2,6H,3-4H2/b2-1+
InChIKey
AHJKTMQDOYBLSR-OWOJBTEDSA-N
Compound name
(E)-3-cyclopropylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

93.057846 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 120.6
[M+Na]+ 116.04706 132.6
[M+NH4]+ 111.09167 126.7
[M+K]+ 132.02100 125.0
[M-H]- 92.050570 121.3
[M+Na-2H]- 114.03251 126.5
[M]+ 93.057297 122.6
[M]- 93.058395 122.6
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