CID 18548981

Lithium(1+) ion 4-(4-methylpiperazin-1-yl)but-2-ynoate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CN1CCN(CC1)CC#CC(=O)O
InChI
InChI=1S/C9H14N2O2/c1-10-5-7-11(8-6-10)4-2-3-9(12)13/h4-8H2,1H3,(H,12,13)
InChIKey
LCACCIYZPASEJC-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)but-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

182.10553 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 142.9
[M+Na]+ 205.09475 152.3
[M+NH4]+ 200.13935 145.8
[M+K]+ 221.06869 144.6
[M-H]- 181.09825 134.1
[M+Na-2H]- 203.08020 143.0
[M]+ 182.10498 140.5
[M]- 182.10608 140.5
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