CID 19799802

5-amino-2-(aminomethyl)phenol dihydrobromide

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1=CC(=C(C=C1N)O)CN
InChI
InChI=1S/C7H10N2O/c8-4-5-1-2-6(9)3-7(5)10/h1-3,10H,4,8-9H2
InChIKey
VFLWNTBCFKHUNS-UHFFFAOYSA-N
Compound name
5-amino-2-(aminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

138.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 126.8
[M+Na]+ 161.06854 134.8
[M-H]- 137.07204 128.9
[M+NH4]+ 156.11314 147.1
[M+K]+ 177.04248 132.2
[M+H-H2O]+ 121.07658 121.4
[M+HCOO]- 183.07752 151.5
[M+CH3COO]- 197.09317 175.6
[M+Na-2H]- 159.05399 132.5
[M]+ 138.07877 122.7
[M]- 138.07987 122.7
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