CID 10587720

5-undecylbenzene-1,3-diol

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCCCCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h12-14,18-19H,2-11H2,1H3
InChIKey
SXRLJXDYAKBNRZ-UHFFFAOYSA-N
Compound name
5-undecylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

264.20892 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 167.3
[M+Na]+ 287.19814 172.2
[M-H]- 263.20164 167.2
[M+NH4]+ 282.24274 183.1
[M+K]+ 303.17208 167.6
[M+H-H2O]+ 247.20618 160.8
[M+HCOO]- 309.20712 186.6
[M+CH3COO]- 323.22277 196.5
[M+Na-2H]- 285.18359 168.8
[M]+ 264.20837 170.0
[M]- 264.20947 170.0
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