CID 15205080

3-hydroxy-2,2-dimethylbutanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

113.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 125.6
[M+Na]+ 136.07328 134.4
[M-H]- 112.07678 125.7
[M+NH4]+ 131.11788 145.7
[M+K]+ 152.04722 134.4
[M+H-H2O]+ 96.081320 115.5
[M+HCOO]- 158.08226 142.6
[M+CH3COO]- 172.09791 182.4
[M+Na-2H]- 134.05873 131.3
[M]+ 113.08351 120.4
[M]- 113.08461 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe