CID 25198090

1-(ethoxycarbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)C1(CC1(C)C)C(=O)O
InChI
InChI=1S/C9H14O4/c1-4-13-7(12)9(6(10)11)5-8(9,2)3/h4-5H2,1-3H3,(H,10,11)
InChIKey
BNESMMDYENMHDL-UHFFFAOYSA-N
Compound name
1-ethoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

186.0892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 139.3
[M+Na]+ 209.078418 149.2
[M-H]- 185.081924 143.4
[M+NH4]+ 204.123023 157.7
[M+K]+ 225.052358 149.0
[M+H-H2O]+ 169.086460 136.9
[M+HCOO]- 231.087401 159.5
[M+CH3COO]- 245.103051 183.1
[M+Na-2H]- 207.063866 144.5
[M]+ 186.08865142 145.6
[M]- 186.08974858 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

literature stripe

Patent stripe

patents stripe