CID 107984

L-nio

Structural Information

Molecular Formula
C7H15N3O2
SMILES
CC(=NCCC[C@@H](C(=O)O)N)N
InChI
InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
InChIKey
UYZFAUAYFLEHRC-LURJTMIESA-N
Compound name
(2S)-2-amino-5-(1-aminoethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

187
References

799
Patents

173.11642 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.123696 140.7
[M+Na]+ 196.105638 144.8
[M-H]- 172.109144 139.8
[M+NH4]+ 191.150243 159.2
[M+K]+ 212.079578 144.8
[M+H-H2O]+ 156.113680 134.5
[M+HCOO]- 218.114621 163.8
[M+CH3COO]- 232.130271 188.1
[M+Na-2H]- 194.091086 141.7
[M]+ 173.11587142 137.2
[M]- 173.11696858 137.2
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