CID 55294549

2-amino-2-(3-aminophenyl)propan-1-ol dihydrochloride

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(CO)(C1=CC(=CC=C1)N)N
InChI
InChI=1S/C9H14N2O/c1-9(11,6-12)7-3-2-4-8(10)5-7/h2-5,12H,6,10-11H2,1H3
InChIKey
GAIWYSQZMDQRPS-UHFFFAOYSA-N
Compound name
2-amino-2-(3-aminophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 136.1
[M+Na]+ 189.09983 142.8
[M-H]- 165.10333 137.7
[M+NH4]+ 184.14443 155.2
[M+K]+ 205.07377 140.1
[M+H-H2O]+ 149.10787 130.7
[M+HCOO]- 211.10881 158.6
[M+CH3COO]- 225.12446 180.8
[M+Na-2H]- 187.08528 142.2
[M]+ 166.11006 131.9
[M]- 166.11116 131.9
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

No patent data available for this compound.