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]+ 153.13863 134.0
[M+Na]+ 175.12057 140.5
[M-H]- 151.12407 133.3
[M+NH4]+ 170.16517 150.9
[M+K]+ 191.09451 137.0
[M+H-H2O]+ 135.12861 121.4
[M+HCOO]- 197.12955 148.0
[M+CH3COO]- 211.14520 184.9
[M+Na-2H]- 173.10602 137.9
[M]+ 152.13080 122.9
[M]- 152.13190 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