CID 86720

18403-59-3

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1CC(OC2=CC(=C(C=C12)O)C(C)(C)CC(C)(C)C)(C)C
InChI
InChI=1S/C20H32O2/c1-13-11-20(7,8)22-17-10-15(16(21)9-14(13)17)19(5,6)12-18(2,3)4/h9-10,13,21H,11-12H2,1-8H3
InChIKey
WPFCIJSORUPKTC-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-7-(2,4,4-trimethylpentan-2-yl)-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

304.24023 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 174.8
[M+Na]+ 327.22945 182.0
[M-H]- 303.23295 178.6
[M+NH4]+ 322.27405 192.2
[M+K]+ 343.20339 180.0
[M+H-H2O]+ 287.23749 170.3
[M+HCOO]- 349.23843 187.4
[M+CH3COO]- 363.25408 208.7
[M+Na-2H]- 325.21490 179.5
[M]+ 304.23968 177.1
[M]- 304.24078 177.1
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