CID 3918599

2-butylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C8H17N
SMILES
CCCCC1CCCN1
InChI
InChI=1S/C8H17N/c1-2-3-5-8-6-4-7-9-8/h8-9H,2-7H2,1H3
InChIKey
CKHOSERPJPIUIL-UHFFFAOYSA-N
Compound name
2-butylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

127.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 131.1
[M+Na]+ 150.12532 136.3
[M-H]- 126.12882 131.0
[M+NH4]+ 145.16992 152.8
[M+K]+ 166.09926 134.5
[M+H-H2O]+ 110.13336 125.1
[M+HCOO]- 172.13430 150.9
[M+CH3COO]- 186.14995 169.3
[M+Na-2H]- 148.11077 134.8
[M]+ 127.13555 127.0
[M]- 127.13665 127.0
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