CID 12318664

2-[(1r)-1-hydroxyethyl]phenol

Structural Information

Molecular Formula
C8H10O2
SMILES
C[C@H](C1=CC=CC=C1O)O
InChI
InChI=1S/C8H10O2/c1-6(9)7-4-2-3-5-8(7)10/h2-6,9-10H,1H3/t6-/m1/s1
InChIKey
JVNCFFFHVBWVBR-ZCFIWIBFSA-N
Compound name
2-[(1R)-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 126.7
[M+Na]+ 161.05730 134.4
[M-H]- 137.06080 128.1
[M+NH4]+ 156.10190 147.3
[M+K]+ 177.03124 132.4
[M+H-H2O]+ 121.06534 122.0
[M+HCOO]- 183.06628 148.1
[M+CH3COO]- 197.08193 169.0
[M+Na-2H]- 159.04275 132.5
[M]+ 138.06753 125.1
[M]- 138.06863 125.1
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