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

47
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 124.3
[M+Na]+ 132.07837 133.7
[M-H]- 108.08187 125.5
[M+NH4]+ 127.12297 145.3
[M+K]+ 148.05231 132.8
[M+H-H2O]+ 92.086410 114.1
[M+HCOO]- 154.08735 143.2
[M+CH3COO]- 168.10300 184.3
[M+Na-2H]- 130.06382 131.2
[M]+ 109.08860 119.9
[M]- 109.08970 119.9
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