CID 58004

100762-88-7

Structural Information

Molecular Formula
C10H16N2O2
SMILES
C1=CC(C=CC1CCC(C(=O)O)N)N
InChI
InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)
InChIKey
LAJWZJCOWPUSOA-UHFFFAOYSA-N
Compound name
2-amino-4-(4-aminocyclohexa-2,5-dien-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

44
Patents

196.12119 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 144.7
[M+Na]+ 219.11041 152.5
[M+NH4]+ 214.15501 151.2
[M+K]+ 235.08435 148.8
[M-H]- 195.11391 145.7
[M+Na-2H]- 217.09586 148.0
[M]+ 196.12064 145.5
[M]- 196.12174 145.5
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