CID 6559

Isobutyronitrile

Structural Information

Molecular Formula
C4H7N
SMILES
CC(C)C#N
InChI
InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
InChIKey
LRDFRRGEGBBSRN-UHFFFAOYSA-N
Compound name
2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

39
References

37234
Patents

69.057846 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.065122 112.4
[M+Na]+ 92.047064 123.3
[M+NH4]+ 87.091669 118.1
[M+K]+ 108.02100 115.2
[M-H]- 68.050570 105.8
[M+Na-2H]- 90.032512 115.4
[M]+ 69.057297 111.2
[M]- 69.058395 111.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe