CID 14170128

2-[(2r)-2-hydroxypropoxy]phenol

Structural Information

Molecular Formula
C9H12O3
SMILES
C[C@H](COC1=CC=CC=C1O)O
InChI
InChI=1S/C9H12O3/c1-7(10)6-12-9-5-3-2-4-8(9)11/h2-5,7,10-11H,6H2,1H3/t7-/m1/s1
InChIKey
RBDNCOWPQKPSIE-SSDOTTSWSA-N
Compound name
2-[(2R)-2-hydroxypropoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 134.5
[M+Na]+ 191.067858 141.6
[M-H]- 167.071364 135.6
[M+NH4]+ 186.112463 153.7
[M+K]+ 207.041798 139.9
[M+H-H2O]+ 151.075900 129.2
[M+HCOO]- 213.076841 155.7
[M+CH3COO]- 227.092491 174.1
[M+Na-2H]- 189.053306 139.7
[M]+ 168.07809142 134.7
[M]- 168.07918858 134.7
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.