CID 63642251

2416234-77-8

Structural Information

Molecular Formula
C9H15N
SMILES
C#CCCC1CCCCN1
InChI
InChI=1S/C9H15N/c1-2-3-6-9-7-4-5-8-10-9/h1,9-10H,3-8H2
InChIKey
UXDNZOOPIVWGLY-UHFFFAOYSA-N
Compound name
2-but-3-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

137.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 129.7
[M+Na]+ 160.109668 136.6
[M-H]- 136.113174 128.3
[M+NH4]+ 155.154273 146.9
[M+K]+ 176.083608 132.5
[M+H-H2O]+ 120.117710 117.7
[M+HCOO]- 182.118651 142.1
[M+CH3COO]- 196.134301 180.1
[M+Na-2H]- 158.095116 134.0
[M]+ 137.11990142 118.7
[M]- 137.12099858 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.