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]+ 255.174346 160.0
[M+Na]+ 277.156288 170.0
[M-H]- 253.159794 167.0
[M+NH4]+ 272.200893 187.0
[M+K]+ 293.130228 164.4
[M+H-H2O]+ 237.164330 155.9
[M+HCOO]- 299.165271 180.6
[M+CH3COO]- 313.180921 197.4
[M+Na-2H]- 275.141736 161.5
[M]+ 254.16652142 160.7
[M]- 254.16761858 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.