CID 85554474

2,3-dihydroxy-2-methylpropanenitrile

Structural Information

Molecular Formula
C4H7NO2
SMILES
CC(CO)(C#N)O
InChI
InChI=1S/C4H7NO2/c1-4(7,2-5)3-6/h6-7H,3H2,1H3
InChIKey
LVWXFBPEZPFFAI-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

101.047676 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 120.6
[M+Na]+ 124.03689 129.9
[M-H]- 100.04040 119.6
[M+NH4]+ 119.08150 140.5
[M+K]+ 140.01083 129.7
[M+H-H2O]+ 84.044936 110.8
[M+HCOO]- 146.04588 137.9
[M+CH3COO]- 160.06153 175.6
[M+Na-2H]- 122.02234 127.9
[M]+ 101.04713 114.9
[M]- 101.04822 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