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]+ 211.16927 149.5
[M+Na]+ 233.15121 156.0
[M-H]- 209.15471 152.8
[M+NH4]+ 228.19581 172.4
[M+K]+ 249.12515 154.6
[M+H-H2O]+ 193.15925 145.5
[M+HCOO]- 255.16019 169.4
[M+CH3COO]- 269.17584 189.4
[M+Na-2H]- 231.13666 149.1
[M]+ 210.16144 149.9
[M]- 210.16254 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.