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

607
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 122.1
[M+Na]+ 128.06820 128.1
[M-H]- 104.07170 119.2
[M+NH4]+ 123.11280 143.1
[M+K]+ 144.04214 127.5
[M+H-H2O]+ 88.076240 117.7
[M+HCOO]- 150.07718 143.3
[M+CH3COO]- 164.09283 164.8
[M+Na-2H]- 126.05365 126.8
[M]+ 105.07843 119.1
[M]- 105.07953 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

No literature data available for this compound.

Patent stripe

patents stripe