CID 3025232

102312-58-3

Structural Information

Molecular Formula
C9H18ClN
SMILES
CCCCN1CCCC1CCl
InChI
InChI=1S/C9H18ClN/c1-2-3-6-11-7-4-5-9(11)8-10/h9H,2-8H2,1H3
InChIKey
FEUUUUGHOFSGJV-UHFFFAOYSA-N
Compound name
1-butyl-2-(chloromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11278 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12006 141.6
[M+Na]+ 198.10200 148.5
[M-H]- 174.10550 142.8
[M+NH4]+ 193.14660 163.2
[M+K]+ 214.07594 145.2
[M+H-H2O]+ 158.11004 135.8
[M+HCOO]- 220.11098 157.8
[M+CH3COO]- 234.12663 180.0
[M+Na-2H]- 196.08745 144.0
[M]+ 175.11223 141.8
[M]- 175.11333 141.8
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

No patent data available for this compound.