CID 5055

Resorcinol monoacetate

Structural Information

Molecular Formula
C8H8O3
SMILES
CC(=O)OC1=CC=CC(=C1)O
InChI
InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
InChIKey
ZZPKZRHERLGEKA-UHFFFAOYSA-N
Compound name
(3-hydroxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

2744
Patents

152.04735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 127.8
[M+Na]+ 175.03657 136.2
[M-H]- 151.04007 130.7
[M+NH4]+ 170.08117 148.4
[M+K]+ 191.01051 135.1
[M+H-H2O]+ 135.04461 122.7
[M+HCOO]- 197.04555 151.2
[M+CH3COO]- 211.06120 172.1
[M+Na-2H]- 173.02202 134.2
[M]+ 152.04680 128.8
[M]- 152.04790 128.8
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