CID 67155

1-hexylpyrrolidine

Structural Information

Molecular Formula
C10H21N
SMILES
CCCCCCN1CCCC1
InChI
InChI=1S/C10H21N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-10H2,1H3
InChIKey
OUKZCQQNMWXMNE-UHFFFAOYSA-N
Compound name
1-hexylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

500
Patents

155.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.174676 139.5
[M+Na]+ 178.156618 144.3
[M-H]- 154.160124 140.4
[M+NH4]+ 173.201223 160.8
[M+K]+ 194.130558 142.9
[M+H-H2O]+ 138.164660 132.8
[M+HCOO]- 200.165601 160.1
[M+CH3COO]- 214.181251 178.1
[M+Na-2H]- 176.142066 142.7
[M]+ 155.16685142 138.0
[M]- 155.16794858 138.0
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