CID 53424979

Omkmcevabfyvse-uhfffaoysa-n

Structural Information

Molecular Formula
C18H20O3
SMILES
CC1(C2CCC1(C(=O)C2=CC3=CC4=C(C=C3)OCO4)C)C
InChI
InChI=1S/C18H20O3/c1-17(2)13-6-7-18(17,3)16(19)12(13)8-11-4-5-14-15(9-11)21-10-20-14/h4-5,8-9,13H,6-7,10H2,1-3H3
InChIKey
OMKMCEVABFYVSE-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylmethylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.148516 164.6
[M+Na]+ 307.130458 174.7
[M-H]- 283.133964 173.7
[M+NH4]+ 302.175063 190.0
[M+K]+ 323.104398 171.7
[M+H-H2O]+ 267.138500 162.3
[M+HCOO]- 329.139441 182.6
[M+CH3COO]- 343.155091 178.1
[M+Na-2H]- 305.115906 166.6
[M]+ 284.14069142 167.6
[M]- 284.14178858 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.