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 138.6
[M+Na]+ 209.07842 147.6
[M-H]- 185.08192 142.3
[M+NH4]+ 204.12302 153.3
[M+K]+ 225.05236 145.8
[M+H-H2O]+ 169.08646 133.9
[M+HCOO]- 231.08740 158.1
[M+CH3COO]- 245.10305 183.4
[M+Na-2H]- 207.06387 142.2
[M]+ 186.08865 143.3
[M]- 186.08975 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