CID 133098

178167-75-4

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=C(C=C2CCC(OC2=C1C)(C)CCC(=O)O)O
InChI
InChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)
InChIKey
VMJQLPNCUPGMNQ-UHFFFAOYSA-N
Compound name
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

53
References

458
Patents

264.13617 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 159.4
[M+Na]+ 287.12539 167.3
[M-H]- 263.12889 162.2
[M+NH4]+ 282.16999 177.1
[M+K]+ 303.09933 165.4
[M+H-H2O]+ 247.13343 154.4
[M+HCOO]- 309.13437 174.9
[M+CH3COO]- 323.15002 195.3
[M+Na-2H]- 285.11084 163.1
[M]+ 264.13562 160.8
[M]- 264.13672 160.8
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