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

49
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 167.0
[M+Na]+ 287.19814 172.4
[M-H]- 263.20164 170.1
[M+NH4]+ 282.24274 186.0
[M+K]+ 303.17208 170.1
[M+H-H2O]+ 247.20618 162.0
[M+HCOO]- 309.20712 185.5
[M+CH3COO]- 323.22277 201.8
[M+Na-2H]- 285.18359 165.1
[M]+ 264.20837 169.6
[M]- 264.20947 169.6
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