CID 198327

2-(chloromethyl)-1-methylpyrrolidinium chloride

Structural Information

Molecular Formula
C6H12ClN
SMILES
CN1CCCC1CCl
InChI
InChI=1S/C6H12ClN/c1-8-4-2-3-6(8)5-7/h6H,2-5H2,1H3
InChIKey
ZXEQVHDPCGPJSJ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

133.06583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07311 127.6
[M+Na]+ 156.05505 135.8
[M-H]- 132.05855 129.3
[M+NH4]+ 151.09965 150.9
[M+K]+ 172.02899 133.3
[M+H-H2O]+ 116.06309 122.5
[M+HCOO]- 178.06403 144.9
[M+CH3COO]- 192.07968 170.9
[M+Na-2H]- 154.04050 131.7
[M]+ 133.06528 126.7
[M]- 133.06638 126.7
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