CID 67039

Carbethyl salicylate

Structural Information

Molecular Formula
C19H18O7
SMILES
CCOC(=O)C1=CC=CC=C1OC(=O)OC2=CC=CC=C2C(=O)OCC
InChI
InChI=1S/C19H18O7/c1-3-23-17(20)13-9-5-7-11-15(13)25-19(22)26-16-12-8-6-10-14(16)18(21)24-4-2/h5-12H,3-4H2,1-2H3
InChIKey
QWWLHNFYJSCNGD-UHFFFAOYSA-N
Compound name
ethyl 2-(2-ethoxycarbonylphenoxy)carbonyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

273
Patents

358.10526 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.112536 180.5
[M+Na]+ 381.094478 186.1
[M-H]- 357.097984 187.0
[M+NH4]+ 376.139083 192.6
[M+K]+ 397.068418 185.6
[M+H-H2O]+ 341.102520 171.6
[M+HCOO]- 403.103461 202.2
[M+CH3COO]- 417.119111 211.4
[M+Na-2H]- 379.079926 181.3
[M]+ 358.10471142 187.8
[M]- 358.10580858 187.8
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