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

4719
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 130.3
[M+Na]+ 150.125318 135.9
[M-H]- 126.128824 131.6
[M+NH4]+ 145.169923 152.8
[M+K]+ 166.099258 135.1
[M+H-H2O]+ 110.133360 124.0
[M+HCOO]- 172.134301 151.6
[M+CH3COO]- 186.149951 172.0
[M+Na-2H]- 148.110766 134.6
[M]+ 127.13555142 128.1
[M]- 127.13664858 128.1
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