CID 13401990

3-chloropyrrolidine hydrochloride

Structural Information

Molecular Formula
C4H8ClN
SMILES
C1CNCC1Cl
InChI
InChI=1S/C4H8ClN/c5-4-1-2-6-3-4/h4,6H,1-3H2
InChIKey
SIMYCJOGGRXQIY-UHFFFAOYSA-N
Compound name
3-chloropyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

105.03453 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.04181 119.6
[M+Na]+ 128.02375 127.2
[M-H]- 104.02725 119.8
[M+NH4]+ 123.06835 142.9
[M+K]+ 143.99769 124.3
[M+H-H2O]+ 88.031790 114.7
[M+HCOO]- 150.03273 135.9
[M+CH3COO]- 164.04838 161.1
[M+Na-2H]- 126.00920 124.9
[M]+ 105.03398 115.6
[M]- 105.03508 115.6
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