CID 57029335

3-[bis(3-aminopropyl)amino]propanoic acid trihydrochloride

Structural Information

Molecular Formula
C9H21N3O2
SMILES
C(CN)CN(CCCN)CCC(=O)O
InChI
InChI=1S/C9H21N3O2/c10-4-1-6-12(7-2-5-11)8-3-9(13)14/h1-8,10-11H2,(H,13,14)
InChIKey
KOFMPLVZLXBEHF-UHFFFAOYSA-N
Compound name
3-[bis(3-aminopropyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

203.16338 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17066 149.5
[M+Na]+ 226.15260 152.6
[M-H]- 202.15610 148.1
[M+NH4]+ 221.19720 166.9
[M+K]+ 242.12654 152.2
[M+H-H2O]+ 186.16064 142.7
[M+HCOO]- 248.16158 172.7
[M+CH3COO]- 262.17723 194.7
[M+Na-2H]- 224.13805 150.9
[M]+ 203.16283 148.2
[M]- 203.16393 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe