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

22
Patents

175.13208 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.13936 140.8
[M+Na]+ 198.12130 144.3
[M-H]- 174.12480 138.3
[M+NH4]+ 193.16590 158.5
[M+K]+ 214.09524 143.5
[M+H-H2O]+ 158.12934 134.5
[M+HCOO]- 220.13028 163.1
[M+CH3COO]- 234.14593 186.3
[M+Na-2H]- 196.10675 142.6
[M]+ 175.13153 136.8
[M]- 175.13263 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