CID 90533

Nonyl hydrogen phthalate

Structural Information

Molecular Formula
C17H24O4
SMILES
CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C17H24O4/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)
InChIKey
LNKHFECVVLVFFE-UHFFFAOYSA-N
Compound name
2-nonoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

292.16745 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 171.5
[M+Na]+ 315.15667 175.9
[M-H]- 291.16017 172.7
[M+NH4]+ 310.20127 186.1
[M+K]+ 331.13061 173.1
[M+H-H2O]+ 275.16471 164.4
[M+HCOO]- 337.16565 191.1
[M+CH3COO]- 351.18130 201.3
[M+Na-2H]- 313.14212 171.8
[M]+ 292.16690 175.8
[M]- 292.16800 175.8
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