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 160.5
[M+Na]+ 289.10464 166.1
[M-H]- 265.10814 162.3
[M+NH4]+ 284.14924 176.2
[M+K]+ 305.07858 164.7
[M+H-H2O]+ 249.11268 153.7
[M+HCOO]- 311.11362 181.4
[M+CH3COO]- 325.12927 193.8
[M+Na-2H]- 287.09009 162.5
[M]+ 266.11487 165.1
[M]- 266.11597 165.1
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

patents stripe