CID 70678731

Carboxyspermidine(2+)

Structural Information

Molecular Formula
C8H19N3O2
SMILES
C(CCNCC[C@@H](C(=O)O)N)CN
InChI
InChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)/t7-/m0/s1
InChIKey
ICLFWLHIBPQMFT-ZETCQYMHSA-N
Compound name
(2S)-2-amino-4-(4-aminobutylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.14772 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15500 144.6
[M+Na]+ 212.13694 149.0
[M+NH4]+ 207.18154 149.6
[M+K]+ 228.11088 146.3
[M-H]- 188.14044 143.1
[M+Na-2H]- 210.12239 144.8
[M]+ 189.14717 144.0
[M]- 189.14827 144.0
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