CID 19973209

1268842-79-0

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(C)(C)OC(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C9H14O4/c1-8(2,3)13-7(12)9(4-5-9)6(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKey
FSQXAHDYGFYONQ-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

186.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 140.1
[M+Na]+ 209.078418 148.8
[M-H]- 185.081924 143.7
[M+NH4]+ 204.123023 156.4
[M+K]+ 225.052358 148.2
[M+H-H2O]+ 169.086460 136.6
[M+HCOO]- 231.087401 159.2
[M+CH3COO]- 245.103051 181.8
[M+Na-2H]- 207.063866 145.5
[M]+ 186.08865142 144.9
[M]- 186.08974858 144.9
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