CID 6481479

2-naphthalenecarboxylic acid, 3-dodecyl-1,8-dihydroxy-

Structural Information

Molecular Formula
C23H32O4
SMILES
CCCCCCCCCCCCC1=C(C(=C2C(=C1)C=CC=C2O)O)C(=O)O
InChI
InChI=1S/C23H32O4/c1-2-3-4-5-6-7-8-9-10-11-13-18-16-17-14-12-15-19(24)20(17)22(25)21(18)23(26)27/h12,14-16,24-25H,2-11,13H2,1H3,(H,26,27)
InChIKey
ASXZBBGWKPYAMO-UHFFFAOYSA-N
Compound name
3-dodecyl-1,8-dihydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.23007 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23735 194.1
[M+Na]+ 395.21929 198.7
[M-H]- 371.22279 193.5
[M+NH4]+ 390.26389 205.7
[M+K]+ 411.19323 192.7
[M+H-H2O]+ 355.22733 186.8
[M+HCOO]- 417.22827 209.0
[M+CH3COO]- 431.24392 216.4
[M+Na-2H]- 393.20474 192.7
[M]+ 372.22952 198.1
[M]- 372.23062 198.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.