CID 14325614

1-aminobutane-2,3-diol

Structural Information

Molecular Formula
C4H11NO2
SMILES
CC(C(CN)O)O
InChI
InChI=1S/C4H11NO2/c1-3(6)4(7)2-5/h3-4,6-7H,2,5H2,1H3
InChIKey
BSLCSFCXSUCFQN-UHFFFAOYSA-N
Compound name
1-aminobutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

105.07898 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.08626 122.7
[M+Na]+ 128.06820 128.6
[M-H]- 104.07170 120.0
[M+NH4]+ 123.11280 143.7
[M+K]+ 144.04214 128.4
[M+H-H2O]+ 88.076240 118.4
[M+HCOO]- 150.07718 142.9
[M+CH3COO]- 164.09283 165.7
[M+Na-2H]- 126.05365 126.1
[M]+ 105.07843 119.0
[M]- 105.07953 119.0
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