CID 155822903

2503202-98-8

Structural Information

Molecular Formula
C11H16O6
SMILES
CC(C)(C)OC(=O)C1C(C1C(=O)OC)C(=O)O
InChI
InChI=1S/C11H16O6/c1-11(2,3)17-10(15)7-5(8(12)13)6(7)9(14)16-4/h5-7H,1-4H3,(H,12,13)
InChIKey
HZGLPQTXOQTKHY-UHFFFAOYSA-N
Compound name
2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.09468 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10196 150.0
[M+Na]+ 267.08390 158.9
[M-H]- 243.08740 153.7
[M+NH4]+ 262.12850 162.5
[M+K]+ 283.05784 157.3
[M+H-H2O]+ 227.09194 145.3
[M+HCOO]- 289.09288 168.4
[M+CH3COO]- 303.10853 193.9
[M+Na-2H]- 265.06935 151.2
[M]+ 244.09413 157.4
[M]- 244.09523 157.4
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.