CID 96068259

1909288-13-6

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C9H14O4/c1-9(2,3)13-8(12)6-4-5(6)7(10)11/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6-/m1/s1
InChIKey
IQIADELBDBDDAW-PHDIDXHHSA-N
Compound name
trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 138.6
[M+Na]+ 209.078418 147.6
[M-H]- 185.081924 142.3
[M+NH4]+ 204.123023 153.3
[M+K]+ 225.052358 145.8
[M+H-H2O]+ 169.086460 133.9
[M+HCOO]- 231.087401 158.1
[M+CH3COO]- 245.103051 183.4
[M+Na-2H]- 207.063866 142.2
[M]+ 186.08865142 143.3
[M]- 186.08974858 143.3
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