CID 11837

607-78-3

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC(C(C1=C(C=C(C=C1)O)O)O)N
InChI
InChI=1S/C9H13NO3/c1-5(10)9(13)7-3-2-6(11)4-8(7)12/h2-5,9,11-13H,10H2,1H3
InChIKey
KFPPOSRITNBYAQ-UHFFFAOYSA-N
Compound name
4-(2-amino-1-hydroxypropyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 139.7
[M+Na]+ 206.078758 146.1
[M-H]- 182.082264 139.2
[M+NH4]+ 201.123363 157.1
[M+K]+ 222.052698 143.8
[M+H-H2O]+ 166.086800 134.4
[M+HCOO]- 228.087741 158.7
[M+CH3COO]- 242.103391 178.5
[M+Na-2H]- 204.064206 141.5
[M]+ 183.08899142 135.9
[M]- 183.09008858 135.9
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.