CID 21579

2-amino-1,4-naphthoquinone imine

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C2C(=C1)C(=N)C=C(C2=O)N
InChI
InChI=1S/C10H8N2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H,12H2
InChIKey
QDPCYPPJLOKHQK-UHFFFAOYSA-N
Compound name
2-amino-4-iminonaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

25
Patents

172.06366 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 132.1
[M+Na]+ 195.052878 141.2
[M-H]- 171.056384 136.9
[M+NH4]+ 190.097483 153.1
[M+K]+ 211.026818 137.4
[M+H-H2O]+ 155.060920 126.3
[M+HCOO]- 217.061861 156.8
[M+CH3COO]- 231.077511 185.1
[M+Na-2H]- 193.038326 139.7
[M]+ 172.06311142 128.5
[M]- 172.06420858 128.5
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