CID 69843

1-butylpyrrolidine

Structural Information

Molecular Formula
C8H17N
SMILES
CCCCN1CCCC1
InChI
InChI=1S/C8H17N/c1-2-3-6-9-7-4-5-8-9/h2-8H2,1H3
InChIKey
JSHASCFKOSDFHY-UHFFFAOYSA-N
Compound name
1-butylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3856
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 130.2
[M+Na]+ 150.12532 140.3
[M+NH4]+ 145.16992 139.4
[M+K]+ 166.09926 135.3
[M-H]- 126.12882 131.6
[M+Na-2H]- 148.11077 135.0
[M]+ 127.13555 131.8
[M]- 127.13665 131.8
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

patents stripe