CID 173533

76649-21-3

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCC1C(CCC1OC(=O)C)C
InChI
InChI=1S/C13H24O2/c1-4-5-6-7-12-10(2)8-9-13(12)15-11(3)14/h10,12-13H,4-9H2,1-3H3
InChIKey
QPFLWOSNOVCWND-UHFFFAOYSA-N
Compound name
(3-methyl-2-pentylcyclopentyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 153.3
[M+Na]+ 235.16685 158.8
[M-H]- 211.17035 156.2
[M+NH4]+ 230.21145 174.2
[M+K]+ 251.14079 157.4
[M+H-H2O]+ 195.17489 147.9
[M+HCOO]- 257.17583 173.9
[M+CH3COO]- 271.19148 189.9
[M+Na-2H]- 233.15230 152.6
[M]+ 212.17708 154.7
[M]- 212.17818 154.7
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.