CID 61787874

1-[1-(prop-2-yn-1-yl)piperidin-4-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C9H16N2
SMILES
C#CCN1CCC(CC1)CN
InChI
InChI=1S/C9H16N2/c1-2-5-11-6-3-9(8-10)4-7-11/h1,9H,3-8,10H2
InChIKey
LBWLVERUVXCCHB-UHFFFAOYSA-N
Compound name
(1-prop-2-ynylpiperidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 133.2
[M+Na]+ 175.120568 140.4
[M-H]- 151.124074 132.8
[M+NH4]+ 170.165173 150.2
[M+K]+ 191.094508 137.0
[M+H-H2O]+ 135.128610 120.8
[M+HCOO]- 197.129551 147.2
[M+CH3COO]- 211.145201 187.1
[M+Na-2H]- 173.106016 136.5
[M]+ 152.13080142 122.6
[M]- 152.13189858 122.6
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.