CID 166517

2-isopropoxyethyl salicylate

Structural Information

Molecular Formula
C12H16O4
SMILES
CC(C)OCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C12H16O4/c1-9(2)15-7-8-16-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChIKey
KFBPVHFUHYKWIF-UHFFFAOYSA-N
Compound name
2-propan-2-yloxyethyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

202
Patents

224.10486 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 149.7
[M+Na]+ 247.09408 156.0
[M-H]- 223.09758 151.8
[M+NH4]+ 242.13868 167.2
[M+K]+ 263.06802 155.0
[M+H-H2O]+ 207.10212 143.5
[M+HCOO]- 269.10306 170.9
[M+CH3COO]- 283.11871 187.2
[M+Na-2H]- 245.07953 152.6
[M]+ 224.10431 152.9
[M]- 224.10541 152.9
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

patents stripe