CID 139621448

2445790-32-7

Structural Information

Molecular Formula
C9H13ClO4
SMILES
CC(C)(C)OC(=O)C1CC1(C(=O)O)Cl
InChI
InChI=1S/C9H13ClO4/c1-8(2,3)14-6(11)5-4-9(5,10)7(12)13/h5H,4H2,1-3H3,(H,12,13)
InChIKey
DYGUFZIXIONQSH-UHFFFAOYSA-N
Compound name
1-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.05023 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05751 141.3
[M+Na]+ 243.03945 151.3
[M-H]- 219.04295 145.2
[M+NH4]+ 238.08405 157.4
[M+K]+ 259.01339 148.8
[M+H-H2O]+ 203.04749 139.1
[M+HCOO]- 265.04843 156.2
[M+CH3COO]- 279.06408 186.6
[M+Na-2H]- 241.02490 146.0
[M]+ 220.04968 148.3
[M]- 220.05078 148.3
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

No patent data available for this compound.