CID 13158036

2,3-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H11N
SMILES
CC(C)C(C)C#N
InChI
InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3
InChIKey
ZMRCOHMOBLASFC-UHFFFAOYSA-N
Compound name
2,3-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

97.08915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 119.7
[M+Na]+ 120.07837 128.5
[M-H]- 96.081874 120.9
[M+NH4]+ 115.12297 141.0
[M+K]+ 136.05231 128.7
[M+H-H2O]+ 80.086410 109.2
[M+HCOO]- 142.08735 138.4
[M+CH3COO]- 156.10300 183.7
[M+Na-2H]- 118.06382 124.6
[M]+ 97.088601 114.9
[M]- 97.089699 114.9
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