CID 5200328

3-(chloromethyl)-1-methylpyrrolidine

Structural Information

Molecular Formula
C6H12ClN
SMILES
CN1CCC(C1)CCl
InChI
InChI=1S/C6H12ClN/c1-8-3-2-6(4-7)5-8/h6H,2-5H2,1H3
InChIKey
JHHRQVTUROCUDM-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

133.06583 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe