CID 2747993

2-hydroxy-3,3-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)(C)C(C#N)O
InChI
InChI=1S/C6H11NO/c1-6(2,3)5(8)4-7/h5,8H,1-3H3
InChIKey
SAOOLIIHRNLCBT-UHFFFAOYSA-N
Compound name
2-hydroxy-3,3-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

113.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 125.9
[M+Na]+ 136.07328 134.8
[M-H]- 112.07678 126.0
[M+NH4]+ 131.11788 146.1
[M+K]+ 152.04722 134.8
[M+H-H2O]+ 96.081320 115.9
[M+HCOO]- 158.08226 142.9
[M+CH3COO]- 172.09791 181.8
[M+Na-2H]- 134.05873 131.6
[M]+ 113.08351 120.6
[M]- 113.08461 120.6
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