CID 7015680

2-ethyl-2-methylbutanenitrile

Structural Information

Molecular Formula
C7H13N
SMILES
CCC(C)(CC)C#N
InChI
InChI=1S/C7H13N/c1-4-7(3,5-2)6-8/h4-5H2,1-3H3
InChIKey
SVVQGVDNIZXKCN-UHFFFAOYSA-N
Compound name
2-ethyl-2-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

111.1048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 124.5
[M+Na]+ 134.09402 133.6
[M-H]- 110.09752 125.8
[M+NH4]+ 129.13862 145.6
[M+K]+ 150.06796 133.4
[M+H-H2O]+ 94.102060 114.3
[M+HCOO]- 156.10300 143.3
[M+CH3COO]- 170.11865 185.2
[M+Na-2H]- 132.07947 131.6
[M]+ 111.10425 120.8
[M]- 111.10535 120.8
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