CID 6028018

883805-47-8

Structural Information

Molecular Formula
C18H22O
SMILES
CC1=CC=C(C=C1)/C=C/2\C(=O)C3CCC2(C3(C)C)C
InChI
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-15-16(19)14-9-10-18(15,4)17(14,2)3/h5-8,11,14H,9-10H2,1-4H3/b15-11+
InChIKey
IFRCODNIQRHSLF-RVDMUPIBSA-N
Compound name
(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16707 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17435 160.0
[M+Na]+ 277.15629 170.0
[M-H]- 253.15979 167.0
[M+NH4]+ 272.20089 187.0
[M+K]+ 293.13023 164.4
[M+H-H2O]+ 237.16433 155.9
[M+HCOO]- 299.16527 180.6
[M+CH3COO]- 313.18092 197.4
[M+Na-2H]- 275.14174 161.5
[M]+ 254.16652 160.7
[M]- 254.16762 160.7
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.