CID 14325610

4-amino-1,2-butanediol

Structural Information

Molecular Formula
C4H11NO2
SMILES
C(CN)C(CO)O
InChI
InChI=1S/C4H11NO2/c5-2-1-4(7)3-6/h4,6-7H,1-3,5H2
InChIKey
ARZSRJNMSIMAKS-UHFFFAOYSA-N
Compound name
4-aminobutane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

976
Patents

105.07898 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.086256 122.1
[M+Na]+ 128.068198 128.1
[M-H]- 104.071704 119.2
[M+NH4]+ 123.112803 143.1
[M+K]+ 144.042138 127.5
[M+H-H2O]+ 88.076240 117.7
[M+HCOO]- 150.077181 143.3
[M+CH3COO]- 164.092831 164.8
[M+Na-2H]- 126.053646 126.8
[M]+ 105.07843142 119.1
[M]- 105.07952858 119.1
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