CID 14325610

4-aminobutane-1,2-diol

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

1242
Patents

105.07898 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.08626 120.3
[M+Na]+ 128.06820 128.2
[M+NH4]+ 123.11280 127.3
[M+K]+ 144.04214 124.9
[M-H]- 104.07170 118.7
[M+Na-2H]- 126.05365 122.6
[M]+ 105.07843 120.4
[M]- 105.07953 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

literature stripe

Patent stripe

patents stripe