CID 158410

Cyclopentenyl propionate musk

Structural Information

Molecular Formula

C₁₇H₂₈O₂

SMILES

CCC(=O)OCC(C)(C)CC1=C(CCC1C(=C)C)C

InChI

InChI=1S/C17H28O2/c1-7-16(18)19-11-17(5,6)10-15-13(4)8-9-14(15)12(2)3/h14H,2,7-11H2,1,3-6H3

InChIKey

RWSDULKUTPNPMB-UHFFFAOYSA-N

Compound name

[2,2-dimethyl-3-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)propyl] propanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 54
Patents: 264.20892 Da
Monoisotopic Mass: 4.4
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]+	265.216196	167.0
[M+Na]+	287.198138	172.4
[M-H]-	263.201644	170.1
[M+NH4]+	282.242743	186.0
[M+K]+	303.172078	170.1
[M+H-H2O]+	247.206180	162.0
[M+HCOO]-	309.207121	185.5
[M+CH3COO]-	323.222771	201.8
[M+Na-2H]-	285.183586	165.1
[M]+	264.20837142	169.6
[M]-	264.20946858	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe