CID 348846

7282-27-1

Structural Information

Molecular Formula
C12H20O4
SMILES
CC1(C(CCC1(C)C(=O)OC)C(=O)OC)C
InChI
InChI=1S/C12H20O4/c1-11(2)8(9(13)15-4)6-7-12(11,3)10(14)16-5/h8H,6-7H2,1-5H3
InChIKey
JTQKJWYDOXYYBH-UHFFFAOYSA-N
Compound name
dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.13615 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 148.0
[M+Na]+ 251.125368 155.9
[M-H]- 227.128874 152.0
[M+NH4]+ 246.169973 172.3
[M+K]+ 267.099308 156.1
[M+H-H2O]+ 211.133410 145.4
[M+HCOO]- 273.134351 168.8
[M+CH3COO]- 287.150001 189.5
[M+Na-2H]- 249.110816 150.1
[M]+ 228.13560142 151.5
[M]- 228.13669858 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe