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
3
Annotation Hits

0
References

48
Patents

264.20892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 167.3
[M+Na]+ 287.19814 175.6
[M+NH4]+ 282.24274 173.7
[M+K]+ 303.17208 172.3
[M-H]- 263.20164 166.8
[M+Na-2H]- 285.18359 168.8
[M]+ 264.20837 168.1
[M]- 264.20947 168.1
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

patents stripe