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

74
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 114.8
[M+Na]+ 116.04706 130.3
[M-H]- 92.050570 121.5
[M+NH4]+ 111.09167 133.6
[M+K]+ 132.02100 125.3
[M+H-H2O]+ 76.055106 105.9
[M+HCOO]- 138.05605 137.6
[M+CH3COO]- 152.07170 182.6
[M+Na-2H]- 114.03251 124.2
[M]+ 93.057297 113.5
[M]- 93.058395 113.5
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