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]+ 178.06293 137.0
[M+Na]+ 200.04487 144.7
[M-H]- 176.04837 138.8
[M+NH4]+ 195.08947 158.4
[M+K]+ 216.01881 142.8
[M+H-H2O]+ 160.05291 131.7
[M+HCOO]- 222.05385 153.7
[M+CH3COO]- 236.06950 177.1
[M+Na-2H]- 198.03032 139.4
[M]+ 177.05510 138.0
[M]- 177.05620 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.