CID 70585872

71820-45-6

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1=CCC(C1(C)C)CC=C2CCCC2O

InChI

InChI=1S/C15H24O/c1-11-7-9-13(15(11,2)3)10-8-12-5-4-6-14(12)16/h7-8,13-14,16H,4-6,9-10H2,1-3H3

InChIKey

NXMXUQDKFPZCRY-UHFFFAOYSA-N

Compound name

2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 220.18271 Da
Monoisotopic Mass: 2.9
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]+	221.189986	154.5
[M+Na]+	243.171928	161.2
[M-H]-	219.175434	159.8
[M+NH4]+	238.216533	178.2
[M+K]+	259.145868	157.1
[M+H-H2O]+	203.179970	150.2
[M+HCOO]-	265.180911	174.7
[M+CH3COO]-	279.196561	187.3
[M+Na-2H]-	241.157376	153.1
[M]+	220.18216142	151.4
[M]-	220.18325858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe