CID 17864577

1-(2-methylbut-3-yn-2-yl)piperazine dihydrochloride

Structural Information

Molecular Formula
C9H16N2
SMILES
CC(C)(C#C)N1CCNCC1
InChI
InChI=1S/C9H16N2/c1-4-9(2,3)11-7-5-10-6-8-11/h1,10H,5-8H2,2-3H3
InChIKey
UQHYVHRBGYMGHE-UHFFFAOYSA-N
Compound name
1-(2-methylbut-3-yn-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

152.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 135.8
[M+Na]+ 175.120568 142.6
[M-H]- 151.124074 133.1
[M+NH4]+ 170.165173 151.2
[M+K]+ 191.094508 139.3
[M+H-H2O]+ 135.128610 123.2
[M+HCOO]- 197.129551 145.4
[M+CH3COO]- 211.145201 182.8
[M+Na-2H]- 173.106016 140.3
[M]+ 152.13080142 124.6
[M]- 152.13189858 124.6
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

patents stripe