CID 51461

Carbonic acid, pentyl ester, ester with salicylic acid

Structural Information

Molecular Formula
C13H16O5
SMILES
CCCCCOC(=O)OC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C13H16O5/c1-2-3-6-9-17-13(16)18-11-8-5-4-7-10(11)12(14)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)
InChIKey
VEBAMMNZYHDIJS-UHFFFAOYSA-N
Compound name
2-pentoxycarbonyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09978 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10706 155.8
[M+Na]+ 275.08900 161.9
[M-H]- 251.09250 157.8
[M+NH4]+ 270.13360 172.1
[M+K]+ 291.06294 160.7
[M+H-H2O]+ 235.09704 149.3
[M+HCOO]- 297.09798 177.1
[M+CH3COO]- 311.11363 190.8
[M+Na-2H]- 273.07445 158.3
[M]+ 252.09923 160.1
[M]- 252.10033 160.1
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

No patent data available for this compound.