CID 20545753

2-(methylamino)propane-1,3-diol

Structural Information

Molecular Formula
C4H11NO2
SMILES
CNC(CO)CO
InChI
InChI=1S/C4H11NO2/c1-5-4(2-6)3-7/h4-7H,2-3H2,1H3
InChIKey
YMFOWIJFFPALOW-UHFFFAOYSA-N
Compound name
2-(methylamino)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

105.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.08626 121.7
[M+Na]+ 128.06820 127.7
[M-H]- 104.07170 119.4
[M+NH4]+ 123.11280 143.0
[M+K]+ 144.04214 127.4
[M+H-H2O]+ 88.076240 117.3
[M+HCOO]- 150.07718 143.5
[M+CH3COO]- 164.09283 165.4
[M+Na-2H]- 126.05365 127.5
[M]+ 105.07843 119.7
[M]- 105.07953 119.7
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