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
(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 142.0
[M+Na]+ 209.07842 151.9
[M+NH4]+ 204.12302 148.5
[M+K]+ 225.05236 150.9
[M-H]- 185.08192 147.0
[M+Na-2H]- 207.06387 146.6
[M]+ 186.08865 145.6
[M]- 186.08975 145.6
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