CID 97788

472-41-3

Structural Information

Molecular Formula
C18H20O2
SMILES
CC1(CC(C2=CC=CC=C2O1)(C)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3
InChIKey
KXYDGGNWZUHESZ-UHFFFAOYSA-N
Compound name
4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1644
Patents

268.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 162.3
[M+Na]+ 291.13555 171.2
[M-H]- 267.13905 169.7
[M+NH4]+ 286.18015 182.0
[M+K]+ 307.10949 168.0
[M+H-H2O]+ 251.14359 155.2
[M+HCOO]- 313.14453 180.3
[M+CH3COO]- 327.16018 174.6
[M+Na-2H]- 289.12100 169.6
[M]+ 268.14578 162.2
[M]- 268.14688 162.2
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