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

40
Patents

163.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04729 133.2
[M+Na]+ 186.02923 140.5
[M-H]- 162.03273 134.8
[M+NH4]+ 181.07383 154.9
[M+K]+ 202.00317 138.9
[M+H-H2O]+ 146.03727 127.7
[M+HCOO]- 208.03821 150.2
[M+CH3COO]- 222.05386 172.3
[M+Na-2H]- 184.01468 136.8
[M]+ 163.03946 133.4
[M]- 163.04056 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