CID 58234715

1296132-58-5

Structural Information

Molecular Formula
C8H12ClNO3
SMILES
CC(=O)OC[C@@H]1CCCN1C(=O)Cl
InChI
InChI=1S/C8H12ClNO3/c1-6(11)13-5-7-3-2-4-10(7)8(9)12/h7H,2-5H2,1H3/t7-/m0/s1
InChIKey
KDAVLQBHQLEGGY-ZETCQYMHSA-N
Compound name
[(2S)-1-carbonochloridoylpyrrolidin-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

205.05057 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05785 143.0
[M+Na]+ 228.03979 150.4
[M-H]- 204.04329 144.9
[M+NH4]+ 223.08439 163.2
[M+K]+ 244.01373 148.6
[M+H-H2O]+ 188.04783 137.7
[M+HCOO]- 250.04877 158.9
[M+CH3COO]- 264.06442 181.4
[M+Na-2H]- 226.02524 143.9
[M]+ 205.05002 144.5
[M]- 205.05112 144.5
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

patents stripe