CID 103541618

3-methoxypyrrolidine-1-carbonyl chloride

Structural Information

Molecular Formula
C6H10ClNO2
SMILES
COC1CCN(C1)C(=O)Cl
InChI
InChI=1S/C6H10ClNO2/c1-10-5-2-3-8(4-5)6(7)9/h5H,2-4H2,1H3
InChIKey
OOCJQEKBFZXKFT-UHFFFAOYSA-N
Compound name
3-methoxypyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.04001 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.047286 132.3
[M+Na]+ 186.029228 140.5
[M-H]- 162.032734 134.3
[M+NH4]+ 181.073833 154.2
[M+K]+ 202.003168 138.8
[M+H-H2O]+ 146.037270 127.2
[M+HCOO]- 208.038211 149.3
[M+CH3COO]- 222.053861 174.1
[M+Na-2H]- 184.014676 135.3
[M]+ 163.03946142 132.9
[M]- 163.04055858 132.9
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