CID 198749

Resorstatin

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCCCCC1=C(C=C(C=C1O)CCCCC)O
InChI
InChI=1S/C17H28O2/c1-3-5-7-9-11-15-16(18)12-14(13-17(15)19)10-8-6-4-2/h12-13,18-19H,3-11H2,1-2H3
InChIKey
GAZJVWPMPITOLB-UHFFFAOYSA-N
Compound name
2-hexyl-5-pentylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

27
Patents

264.20892 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 166.8
[M+Na]+ 287.19814 172.7
[M-H]- 263.20164 167.2
[M+NH4]+ 282.24274 182.9
[M+K]+ 303.17208 168.1
[M+H-H2O]+ 247.20618 160.6
[M+HCOO]- 309.20712 186.1
[M+CH3COO]- 323.22277 197.8
[M+Na-2H]- 285.18359 167.6
[M]+ 264.20837 169.9
[M]- 264.20947 169.9
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