CID 264216

2,2-dimethylpent-4-enenitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC(C)(CC=C)C#N
InChI
InChI=1S/C7H11N/c1-4-5-7(2,3)6-8/h4H,1,5H2,2-3H3
InChIKey
UQLOUBYNTMVSKF-UHFFFAOYSA-N
Compound name
2,2-dimethylpent-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

109.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 124.7
[M+Na]+ 132.07837 135.1
[M+NH4]+ 127.12297 129.6
[M+K]+ 148.05231 126.6
[M-H]- 108.08187 117.3
[M+Na-2H]- 130.06382 127.0
[M]+ 109.08860 123.2
[M]- 109.08970 123.2
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