CID 28816

N-hexyl-o-carboxyphenylcarbonate

Structural Information

Molecular Formula
C14H18O5
SMILES
CCCCCCOC(=O)OC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C14H18O5/c1-2-3-4-7-10-18-14(17)19-12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)
InChIKey
XSIAKDCMDYUKNA-UHFFFAOYSA-N
Compound name
2-hexoxycarbonyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 160.9
[M+Na]+ 289.10464 170.7
[M+NH4]+ 284.14924 166.2
[M+K]+ 305.07858 166.0
[M-H]- 265.10814 160.1
[M+Na-2H]- 287.09009 164.2
[M]+ 266.11487 161.7
[M]- 266.11597 161.7
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.