CID 11593463

388121-83-3

Structural Information

Molecular Formula
C9H16N2
SMILES
CN1CCN(CC1)CCC#C
InChI
InChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h1H,4-9H2,2H3
InChIKey
GZBWIJDICIGGKJ-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

152.13135 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 129.8
[M+Na]+ 175.120568 137.5
[M-H]- 151.124074 128.3
[M+NH4]+ 170.165173 146.0
[M+K]+ 191.094508 134.6
[M+H-H2O]+ 135.128610 116.6
[M+HCOO]- 197.129551 142.2
[M+CH3COO]- 211.145201 185.9
[M+Na-2H]- 173.106016 134.0
[M]+ 152.13080142 121.1
[M]- 152.13189858 121.1
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