CID 10899016

Chloromethyl pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C6H10ClNO2
SMILES
C1CCN(C1)C(=O)OCCl
InChI
InChI=1S/C6H10ClNO2/c7-5-10-6(9)8-3-1-2-4-8/h1-5H2
InChIKey
KWQRWSRWSWLRGN-UHFFFAOYSA-N
Compound name
chloromethyl pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

163.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.047286 133.2
[M+Na]+ 186.029228 140.5
[M-H]- 162.032734 134.8
[M+NH4]+ 181.073833 154.9
[M+K]+ 202.003168 138.9
[M+H-H2O]+ 146.037270 127.7
[M+HCOO]- 208.038211 150.2
[M+CH3COO]- 222.053861 172.3
[M+Na-2H]- 184.014676 136.8
[M]+ 163.03946142 133.4
[M]- 163.04055858 133.4
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