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]+ 164.04729 132.3
[M+Na]+ 186.02923 140.5
[M-H]- 162.03273 134.3
[M+NH4]+ 181.07383 154.2
[M+K]+ 202.00317 138.8
[M+H-H2O]+ 146.03727 127.2
[M+HCOO]- 208.03821 149.3
[M+CH3COO]- 222.05386 174.1
[M+Na-2H]- 184.01468 135.3
[M]+ 163.03946 132.9
[M]- 163.04056 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