CID 5289555

N5-(1-iminobutyl)-l-ornithine

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

13
Patents

201.14772 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.154996 149.7
[M+Na]+ 224.136938 153.0
[M-H]- 200.140444 148.4
[M+NH4]+ 219.181543 167.1
[M+K]+ 240.110878 152.5
[M+H-H2O]+ 184.144980 143.1
[M+HCOO]- 246.145921 172.1
[M+CH3COO]- 260.161571 194.1
[M+Na-2H]- 222.122386 149.7
[M]+ 201.14717142 146.9
[M]- 201.14826858 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

literature stripe

Patent stripe

patents stripe