CID 64338990

1490049-83-6

Structural Information

Molecular Formula
C12H22N2O
SMILES
CC(C)(CN1CCN(CC1)CCC#C)O
InChI
InChI=1S/C12H22N2O/c1-4-5-6-13-7-9-14(10-8-13)11-12(2,3)15/h1,15H,5-11H2,2-3H3
InChIKey
RSQIRJZGIYBVAG-UHFFFAOYSA-N
Compound name
1-(4-but-3-ynylpiperazin-1-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17322 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.180496 149.3
[M+Na]+ 233.162438 155.7
[M-H]- 209.165944 146.4
[M+NH4]+ 228.207043 162.8
[M+K]+ 249.136378 152.3
[M+H-H2O]+ 193.170480 136.3
[M+HCOO]- 255.171421 158.2
[M+CH3COO]- 269.187071 193.7
[M+Na-2H]- 231.147886 151.9
[M]+ 210.17267142 140.7
[M]- 210.17376858 140.7
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.