CID 12259573

4-(piperidin-1-yl)but-2-yn-1-amine

Structural Information

Molecular Formula
C9H16N2
SMILES
C1CCN(CC1)CC#CCN
InChI
InChI=1S/C9H16N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-10H2
InChIKey
MJCJEGGELBSCEM-UHFFFAOYSA-N
Compound name
4-piperidin-1-ylbut-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

152.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 134.0
[M+Na]+ 175.120568 140.5
[M-H]- 151.124074 133.3
[M+NH4]+ 170.165173 150.9
[M+K]+ 191.094508 137.0
[M+H-H2O]+ 135.128610 121.4
[M+HCOO]- 197.129551 148.0
[M+CH3COO]- 211.145201 184.9
[M+Na-2H]- 173.106016 137.9
[M]+ 152.13080142 122.9
[M]- 152.13189858 122.9
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

patents stripe