CID 70278

3-ethylbenzene-1,2-diol

Structural Information

Molecular Formula
C8H10O2
SMILES
CCC1=C(C(=CC=C1)O)O
InChI
InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3
InChIKey
UUCQGNWZASKXNN-UHFFFAOYSA-N
Compound name
3-ethylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1350
Patents

138.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 126.1
[M+Na]+ 161.05730 139.1
[M+NH4]+ 156.10190 134.7
[M+K]+ 177.03124 133.3
[M-H]- 137.06080 127.7
[M+Na-2H]- 159.04275 132.7
[M]+ 138.06753 128.3
[M]- 138.06863 128.3
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