CID 66586879

147993-48-4

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(C)OC(=O)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C10H12O4/c1-6(2)14-10(13)8-5-7(11)3-4-9(8)12/h3-6,11-12H,1-2H3
InChIKey
XYULNQQEVCBODY-UHFFFAOYSA-N
Compound name
propan-2-yl 2,5-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

196.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.1
[M+Na]+ 219.062778 147.8
[M-H]- 195.066284 141.6
[M+NH4]+ 214.107383 158.4
[M+K]+ 235.036718 146.5
[M+H-H2O]+ 179.070820 134.9
[M+HCOO]- 241.071761 160.5
[M+CH3COO]- 255.087411 179.9
[M+Na-2H]- 217.048226 143.0
[M]+ 196.07301142 141.2
[M]- 196.07410858 141.2
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