CID 18335911

4-hydroxy-2,2-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)(CCO)C#N
InChI
InChI=1S/C6H11NO/c1-6(2,5-7)3-4-8/h8H,3-4H2,1-2H3
InChIKey
UWJKJTAFQCZBLA-UHFFFAOYSA-N
Compound name
4-hydroxy-2,2-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

113.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 124.7
[M+Na]+ 136.073278 133.7
[M-H]- 112.076784 124.7
[M+NH4]+ 131.117883 144.9
[M+K]+ 152.047218 133.4
[M+H-H2O]+ 96.081320 114.6
[M+HCOO]- 158.082261 142.6
[M+CH3COO]- 172.097911 181.6
[M+Na-2H]- 134.058726 131.6
[M]+ 113.08351142 120.1
[M]- 113.08460858 120.1
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