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]+ 216.170656 152.7
[M+Na]+ 238.152598 156.5
[M-H]- 214.156104 152.0
[M+NH4]+ 233.197203 167.8
[M+K]+ 254.126538 155.8
[M+H-H2O]+ 198.160640 144.8
[M+HCOO]- 260.161581 169.0
[M+CH3COO]- 274.177231 190.5
[M+Na-2H]- 236.138046 153.5
[M]+ 215.16283142 149.2
[M]- 215.16392858 149.2
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.