CID 44229223

Carboxynorspermidine(2+)

Structural Information

Molecular Formula
C7H17N3O2
SMILES
C(CN)CNCCC(C(=O)O)N
InChI
InChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)
InChIKey
KFJYMJZJSUORBX-UHFFFAOYSA-N
Compound name
2-amino-4-(3-aminopropylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

175.13208 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.139356 140.8
[M+Na]+ 198.121298 144.3
[M-H]- 174.124804 138.3
[M+NH4]+ 193.165903 158.5
[M+K]+ 214.095238 143.5
[M+H-H2O]+ 158.129340 134.5
[M+HCOO]- 220.130281 163.1
[M+CH3COO]- 234.145931 186.3
[M+Na-2H]- 196.106746 142.6
[M]+ 175.13153142 136.8
[M]- 175.13262858 136.8
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

patents stripe