CID 139596512

Ns00043442

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC1CC2CC(CC2C3C(C1)C3(C)C)(C)O

InChI

InChI=1S/C15H26O/c1-9-5-10-7-15(4,16)8-11(10)13-12(6-9)14(13,2)3/h9-13,16H,5-8H2,1-4H3

InChIKey

OXFHFFFSDUNQDV-UHFFFAOYSA-N

Compound name

1,1,3,6-tetramethyl-2,3,4,4a,5,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.19836 Da
Monoisotopic Mass: 3.9
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]+	223.205636	146.5
[M+Na]+	245.187578	154.3
[M-H]-	221.191084	152.2
[M+NH4]+	240.232183	166.1
[M+K]+	261.161518	152.7
[M+H-H2O]+	205.195620	143.9
[M+HCOO]-	267.196561	160.6
[M+CH3COO]-	281.212211	158.0
[M+Na-2H]-	243.173026	149.3
[M]+	222.19781142	144.7
[M]-	222.19890858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.