CID 16061042

Xi-8-hydroxyhexadecanedioic acid

Structural Information

Molecular Formula
C16H30O5
SMILES
C(CCCC(CCCCCCC(=O)O)O)CCCC(=O)O
InChI
InChI=1S/C16H30O5/c17-14(11-7-4-5-9-13-16(20)21)10-6-2-1-3-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)
InChIKey
GZQVGXLMHGPBET-UHFFFAOYSA-N
Compound name
8-hydroxyhexadecanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

302.20932 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.216596 178.4
[M+Na]+ 325.198538 179.7
[M-H]- 301.202044 172.5
[M+NH4]+ 320.243143 190.9
[M+K]+ 341.172478 177.0
[M+H-H2O]+ 285.206580 172.1
[M+HCOO]- 347.207521 192.9
[M+CH3COO]- 361.223171 200.3
[M+Na-2H]- 323.183986 174.9
[M]+ 302.20877142 181.5
[M]- 302.20986858 181.5
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

patents stripe