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

62
Patents

133.06583 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe