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

42
Patents

155.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 129.5
[M+Na]+ 178.04746 138.3
[M-H]- 154.05096 129.7
[M+NH4]+ 173.09206 148.6
[M+K]+ 194.02140 135.4
[M+H-H2O]+ 138.05550 124.8
[M+HCOO]- 200.05644 151.2
[M+CH3COO]- 214.07209 171.8
[M+Na-2H]- 176.03291 134.3
[M]+ 155.05769 126.8
[M]- 155.05879 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