CID 113511

Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-, propanoate

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(=O)OC1(CCC(C1C)C(=C)C)C
InChI
InChI=1S/C13H22O2/c1-6-12(14)15-13(5)8-7-11(9(2)3)10(13)4/h10-11H,2,6-8H2,1,3-5H3
InChIKey
HIYJITNRZNSQGH-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 149.5
[M+Na]+ 233.151208 156.0
[M-H]- 209.154714 152.8
[M+NH4]+ 228.195813 172.4
[M+K]+ 249.125148 154.6
[M+H-H2O]+ 193.159250 145.5
[M+HCOO]- 255.160191 169.4
[M+CH3COO]- 269.175841 189.4
[M+Na-2H]- 231.136656 149.1
[M]+ 210.16144142 149.9
[M]- 210.16253858 149.9
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

No patent data available for this compound.