CID 12754184

2,2-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H11N
SMILES
CCC(C)(C)C#N
InChI
InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3
InChIKey
OSEGNECCBMDWRB-UHFFFAOYSA-N
Compound name
2,2-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

620
Patents

97.08915 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 120.5
[M+Na]+ 120.07837 130.0
[M-H]- 96.081874 121.9
[M+NH4]+ 115.12297 142.0
[M+K]+ 136.05231 130.0
[M+H-H2O]+ 80.086410 110.4
[M+HCOO]- 142.08735 139.6
[M+CH3COO]- 156.10300 182.4
[M+Na-2H]- 118.06382 128.0
[M]+ 97.088601 116.4
[M]- 97.089699 116.4
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