CID 63030124

Methyl 2-amino-4-(4-methylpiperazin-1-yl)butanoate trihydrochloride

Structural Information

Molecular Formula
C10H21N3O2
SMILES
CN1CCN(CC1)CCC(C(=O)OC)N
InChI
InChI=1S/C10H21N3O2/c1-12-5-7-13(8-6-12)4-3-9(11)10(14)15-2/h9H,3-8,11H2,1-2H3
InChIKey
MBDFQJHUGJMCAN-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(4-methylpiperazin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.16338 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17066 151.5
[M+Na]+ 238.15260 159.2
[M+NH4]+ 233.19720 157.3
[M+K]+ 254.12654 155.3
[M-H]- 214.15610 150.9
[M+Na-2H]- 236.13805 153.5
[M]+ 215.16283 151.8
[M]- 215.16393 151.8
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.