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]+ 211.18050 149.3
[M+Na]+ 233.16244 155.7
[M-H]- 209.16594 146.4
[M+NH4]+ 228.20704 162.8
[M+K]+ 249.13638 152.3
[M+H-H2O]+ 193.17048 136.3
[M+HCOO]- 255.17142 158.2
[M+CH3COO]- 269.18707 193.7
[M+Na-2H]- 231.14789 151.9
[M]+ 210.17267 140.7
[M]- 210.17377 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.