CID 6434217

Enzacamene

Structural Information

Molecular Formula

C₁₈H₂₂O

SMILES

CC1=CC=C(C=C1)/C=C/2\C3CCC(C2=O)(C3(C)C)C

InChI

InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+

InChIKey

HEOCBCNFKCOKBX-SDNWHVSQSA-N

Compound name

(3E)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 150
References: 26962
Patents: 254.16707 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe