CID 12684830

3,3-dimethyl-2-methylidenebutanenitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC(C)(C)C(=C)C#N
InChI
InChI=1S/C7H11N/c1-6(5-8)7(2,3)4/h1H2,2-4H3
InChIKey
GURORDQYFXXZCY-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-methylidenebutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

109.08915 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 125.3
[M+Na]+ 132.07837 134.6
[M-H]- 108.08187 126.7
[M+NH4]+ 127.12297 146.4
[M+K]+ 148.05231 134.1
[M+H-H2O]+ 92.086410 115.2
[M+HCOO]- 154.08735 143.4
[M+CH3COO]- 168.10300 184.3
[M+Na-2H]- 130.06382 131.1
[M]+ 109.08860 120.3
[M]- 109.08970 120.3
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