CID 93494335

2761444-24-8

Structural Information

Molecular Formula
C9H13ClO3
SMILES
COC(=O)[C@@H]1CC[C@@H](C1)C(=O)CCl
InChI
InChI=1S/C9H13ClO3/c1-13-9(12)7-3-2-6(4-7)8(11)5-10/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
RNUMHXXTMMCVJT-NKWVEPMBSA-N
Compound name
methyl (1R,3S)-3-(2-chloroacetyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05533 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06261 144.0
[M+Na]+ 227.04455 151.0
[M-H]- 203.04805 147.2
[M+NH4]+ 222.08915 165.5
[M+K]+ 243.01849 148.8
[M+H-H2O]+ 187.05259 139.7
[M+HCOO]- 249.05353 160.8
[M+CH3COO]- 263.06918 182.4
[M+Na-2H]- 225.03000 144.4
[M]+ 204.05478 145.5
[M]- 204.05588 145.5
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.