CID 14715186

2-hydroxy-3-methoxypropanenitrile

Structural Information

Molecular Formula
C4H7NO2
SMILES
COCC(C#N)O
InChI
InChI=1S/C4H7NO2/c1-7-3-4(6)2-5/h4,6H,3H2,1H3
InChIKey
ZTGYDHMYFQUFMT-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

101.047676 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 116.7
[M+Na]+ 124.03689 125.9
[M-H]- 100.04040 116.7
[M+NH4]+ 119.08150 137.1
[M+K]+ 140.01083 126.4
[M+H-H2O]+ 84.044936 106.2
[M+HCOO]- 146.04588 135.9
[M+CH3COO]- 160.06153 178.5
[M+Na-2H]- 122.02234 123.1
[M]+ 101.04713 112.7
[M]- 101.04822 112.7
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