CID 149767

4-(aminomethyl)benzene-1,2,3-triol

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1=CC(=C(C(=C1CN)O)O)O
InChI
InChI=1S/C7H9NO3/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2,9-11H,3,8H2
InChIKey
RLVMDCBYSARFDM-UHFFFAOYSA-N
Compound name
4-(aminomethyl)benzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

155.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 129.5
[M+Na]+ 178.047458 138.3
[M-H]- 154.050964 129.7
[M+NH4]+ 173.092063 148.6
[M+K]+ 194.021398 135.4
[M+H-H2O]+ 138.055500 124.8
[M+HCOO]- 200.056441 151.2
[M+CH3COO]- 214.072091 171.8
[M+Na-2H]- 176.032906 134.3
[M]+ 155.05769142 126.8
[M]- 155.05878858 126.8
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