CID 61157

1,3-diamino-2-propanol

Structural Information

Molecular Formula
C3H10N2O
SMILES
C(C(CN)O)N
InChI
InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
InChIKey
UYBWIEGTWASWSR-UHFFFAOYSA-N
Compound name
1,3-diaminopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

42
References

12681
Patents

90.079315 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.086591 117.9
[M+Na]+ 113.06853 124.0
[M-H]- 89.072039 116.1
[M+NH4]+ 108.11314 139.6
[M+K]+ 129.04247 123.7
[M+H-H2O]+ 73.076575 113.2
[M+HCOO]- 135.07752 141.1
[M+CH3COO]- 149.09317 166.7
[M+Na-2H]- 111.05398 122.9
[M]+ 90.078766 113.1
[M]- 90.079864 113.1
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