CID 5289555

Ethyl-l-nio

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CCCC(=NCCC[C@@H](C(=O)O)N)N
InChI
InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
InChIKey
KRILJVOCVSUPMA-ZETCQYMHSA-N
Compound name
(2S)-2-amino-5-(1-aminobutylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

201.14772 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15500 149.7
[M+Na]+ 224.13694 153.0
[M-H]- 200.14044 148.4
[M+NH4]+ 219.18154 167.1
[M+K]+ 240.11088 152.5
[M+H-H2O]+ 184.14498 143.1
[M+HCOO]- 246.14592 172.1
[M+CH3COO]- 260.16157 194.1
[M+Na-2H]- 222.12239 149.7
[M]+ 201.14717 146.9
[M]- 201.14827 146.9
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.