CID 219602

3,3-dimethylbutanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1214
Patents

97.08915 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 120.9
[M+Na]+ 120.07837 131.5
[M+NH4]+ 115.12297 126.2
[M+K]+ 136.05231 123.2
[M-H]- 96.081874 113.8
[M+Na-2H]- 118.06382 123.6
[M]+ 97.088601 119.5
[M]- 97.089699 119.5
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