CID 13155986

1-(but-3-yn-1-yl)piperidine

Structural Information

Molecular Formula
C9H15N
SMILES
C#CCCN1CCCCC1
InChI
InChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h1H,3-9H2
InChIKey
QUZHDOSFNAEDGG-UHFFFAOYSA-N
Compound name
1-but-3-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

137.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 127.9
[M+Na]+ 160.10967 135.2
[M-H]- 136.11317 127.8
[M+NH4]+ 155.15427 145.8
[M+K]+ 176.08361 131.9
[M+H-H2O]+ 120.11771 115.6
[M+HCOO]- 182.11865 141.7
[M+CH3COO]- 196.13430 182.5
[M+Na-2H]- 158.09512 132.8
[M]+ 137.11990 118.6
[M]- 137.12100 118.6
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