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

10
Patents

152.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.13863 135.8
[M+Na]+ 175.12057 142.6
[M-H]- 151.12407 133.1
[M+NH4]+ 170.16517 151.2
[M+K]+ 191.09451 139.3
[M+H-H2O]+ 135.12861 123.2
[M+HCOO]- 197.12955 145.4
[M+CH3COO]- 211.14520 182.8
[M+Na-2H]- 173.10602 140.3
[M]+ 152.13080 124.6
[M]- 152.13190 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