CID 10176108

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

490
Patents

105.07898 Da
Monoisotopic Mass

-1.8
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

No literature data available for this compound.

Patent stripe

patents stripe