CID 3020487

Ryrmzvxrcmbvtd-uhfffaoysa-n

Structural Information

Molecular Formula
C18H22O
SMILES
CC1=CCC(C1(C)C)CC=CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H22O/c1-14-12-13-16(18(14,2)3)10-7-11-17(19)15-8-5-4-6-9-15/h4-9,11-12,16H,10,13H2,1-3H3
InChIKey
RYRMZVXRCMBVTD-UHFFFAOYSA-N
Compound name
1-phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16707 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.174346 161.4
[M+Na]+ 277.156288 168.5
[M-H]- 253.159794 168.1
[M+NH4]+ 272.200893 182.4
[M+K]+ 293.130228 164.0
[M+H-H2O]+ 237.164330 155.4
[M+HCOO]- 299.165271 183.6
[M+CH3COO]- 313.180921 196.6
[M+Na-2H]- 275.141736 162.4
[M]+ 254.16652142 161.7
[M]- 254.16761858 161.7
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.