CID 91996655

Cyclopentanol, 2-methyl-5-(1-methylethyl)-, 1-propanoate

Structural Information

Molecular Formula
C12H22O2
SMILES
CCC(=O)OC1C(CCC1C(C)C)C
InChI
InChI=1S/C12H22O2/c1-5-11(13)14-12-9(4)6-7-10(12)8(2)3/h8-10,12H,5-7H2,1-4H3
InChIKey
XQSZQCWCVSZOKF-UHFFFAOYSA-N
Compound name
(2-methyl-5-propan-2-ylcyclopentyl) propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

198.16199 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 148.7
[M+Na]+ 221.15121 154.4
[M-H]- 197.15471 151.8
[M+NH4]+ 216.19581 170.1
[M+K]+ 237.12515 153.7
[M+H-H2O]+ 181.15925 143.7
[M+HCOO]- 243.16019 168.7
[M+CH3COO]- 257.17584 187.7
[M+Na-2H]- 219.13666 147.3
[M]+ 198.16144 149.1
[M]- 198.16254 149.1
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

No patent data available for this compound.