CID 213092

4-(1-hydroxypropyl)benzene-1,2-diol

Structural Information

Molecular Formula
C9H12O3
SMILES
CCC(C1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C9H12O3/c1-2-7(10)6-3-4-8(11)9(12)5-6/h3-5,7,10-12H,2H2,1H3
InChIKey
VLWNCJPMUMKUMF-UHFFFAOYSA-N
Compound name
4-(1-hydroxypropyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

168.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 134.6
[M+Na]+ 191.067858 142.2
[M-H]- 167.071364 134.7
[M+NH4]+ 186.112463 153.4
[M+K]+ 207.041798 139.7
[M+H-H2O]+ 151.075900 129.8
[M+HCOO]- 213.076841 154.3
[M+CH3COO]- 227.092491 172.9
[M+Na-2H]- 189.053306 138.6
[M]+ 168.07809142 133.3
[M]- 168.07918858 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe