CID 1411

(?)-11-nor-9-carboxy-?8-thc

Structural Information

Molecular Formula
C21H28O4
SMILES
CCCCCC1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)C(=O)O)O
InChI
InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h8,10-11,15-16,22H,4-7,9,12H2,1-3H3,(H,23,24)
InChIKey
OGXXAQFMAFTSRU-UHFFFAOYSA-N
Compound name
1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

344.19876 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20604 183.5
[M+Na]+ 367.18798 195.3
[M+NH4]+ 362.23258 192.2
[M+K]+ 383.16192 186.8
[M-H]- 343.19148 186.5
[M+Na-2H]- 365.17343 186.0
[M]+ 344.19821 186.1
[M]- 344.19931 186.1
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

patents stripe