CID 71757609

3-{benzyl[2-(cyclopropylamino)ethyl]amino}propanoic acid dihydrochloride

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1CC1NCCN(CCC(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c18-15(19)8-10-17(11-9-16-14-6-7-14)12-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2,(H,18,19)
InChIKey
AKGRVLZKYGNEIO-UHFFFAOYSA-N
Compound name
3-[benzyl-[2-(cyclopropylamino)ethyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 157.4
[M+Na]+ 285.15734 162.2
[M-H]- 261.16084 163.9
[M+NH4]+ 280.20194 168.3
[M+K]+ 301.13128 158.9
[M+H-H2O]+ 245.16538 149.6
[M+HCOO]- 307.16632 181.4
[M+CH3COO]- 321.18197 205.0
[M+Na-2H]- 283.14279 161.6
[M]+ 262.16757 160.2
[M]- 262.16867 160.2
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.