CID 14831157

1,3-dimethyl 2-cyclopentylpropanedioate

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)C(C1CCCC1)C(=O)OC
InChI
InChI=1S/C10H16O4/c1-13-9(11)8(10(12)14-2)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3
InChIKey
KCCNEJJMJHDVCN-UHFFFAOYSA-N
Compound name
dimethyl 2-cyclopentylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

200.10486 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 146.2
[M+Na]+ 223.094078 150.8
[M-H]- 199.097584 149.0
[M+NH4]+ 218.138683 166.7
[M+K]+ 239.068018 151.5
[M+H-H2O]+ 183.102120 140.7
[M+HCOO]- 245.103061 166.5
[M+CH3COO]- 259.118711 182.7
[M+Na-2H]- 221.079526 146.0
[M]+ 200.10431142 146.6
[M]- 200.10540858 146.6
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