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
3
Annotation Hits

0
References

121
Patents

133.06583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.073106 127.6
[M+Na]+ 156.055048 135.8
[M-H]- 132.058554 129.3
[M+NH4]+ 151.099653 150.9
[M+K]+ 172.028988 133.3
[M+H-H2O]+ 116.063090 122.5
[M+HCOO]- 178.064031 144.9
[M+CH3COO]- 192.079681 170.9
[M+Na-2H]- 154.040496 131.7
[M]+ 133.06528142 126.7
[M]- 133.06637858 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