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

27
Patents

200.10486 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 146.2
[M+Na]+ 223.09408 150.8
[M-H]- 199.09758 149.0
[M+NH4]+ 218.13868 166.7
[M+K]+ 239.06802 151.5
[M+H-H2O]+ 183.10212 140.7
[M+HCOO]- 245.10306 166.5
[M+CH3COO]- 259.11871 182.7
[M+Na-2H]- 221.07953 146.0
[M]+ 200.10431 146.6
[M]- 200.10541 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