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

207
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

literature stripe

Patent stripe

patents stripe