CID 79886646

3-(methoxymethyl)pyrrolidine-1-carbonyl chloride

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
COCC1CCN(C1)C(=O)Cl
InChI
InChI=1S/C7H12ClNO2/c1-11-5-6-2-3-9(4-6)7(8)10/h6H,2-5H2,1H3
InChIKey
JXPITDVDBQCEKU-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)pyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05565 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.062926 137.0
[M+Na]+ 200.044868 144.7
[M-H]- 176.048374 138.8
[M+NH4]+ 195.089473 158.4
[M+K]+ 216.018808 142.8
[M+H-H2O]+ 160.052910 131.7
[M+HCOO]- 222.053851 153.7
[M+CH3COO]- 236.069501 177.1
[M+Na-2H]- 198.030316 139.4
[M]+ 177.05510142 138.0
[M]- 177.05619858 138.0
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

No patent data available for this compound.