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]+ 253.107056 155.8
[M+Na]+ 275.088998 161.9
[M-H]- 251.092504 157.8
[M+NH4]+ 270.133603 172.1
[M+K]+ 291.062938 160.7
[M+H-H2O]+ 235.097040 149.3
[M+HCOO]- 297.097981 177.1
[M+CH3COO]- 311.113631 190.8
[M+Na-2H]- 273.074446 158.3
[M]+ 252.09923142 160.1
[M]- 252.10032858 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.