CID 13879749

2-(aminomethyl)benzene-1,3-diol hydrobromide

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1=CC(=C(C(=C1)O)CN)O
InChI
InChI=1S/C7H9NO2/c8-4-5-6(9)2-1-3-7(5)10/h1-3,9-10H,4,8H2
InChIKey
KQJRBPCZRNNVLE-UHFFFAOYSA-N
Compound name
2-(aminomethyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

139.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.1
[M+Na]+ 162.052538 134.5
[M-H]- 138.056044 127.4
[M+NH4]+ 157.097143 146.3
[M+K]+ 178.026478 131.9
[M+H-H2O]+ 122.060580 121.2
[M+HCOO]- 184.061521 149.2
[M+CH3COO]- 198.077171 170.7
[M+Na-2H]- 160.037986 132.2
[M]+ 139.06277142 123.4
[M]- 139.06386858 123.4
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