CID 327177

7-amino-1,2,3,4-tetrahydronaphthalen-1-one

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC2=C(C=C(C=C2)N)C(=O)C1
InChI
InChI=1S/C10H11NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3,11H2
InChIKey
IDNLVJHOEZJNHW-UHFFFAOYSA-N
Compound name
7-amino-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

347
Patents

161.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 131.1
[M+Na]+ 184.07328 138.8
[M-H]- 160.07678 135.2
[M+NH4]+ 179.11788 152.7
[M+K]+ 200.04722 135.8
[M+H-H2O]+ 144.08132 125.5
[M+HCOO]- 206.08226 153.2
[M+CH3COO]- 220.09791 180.0
[M+Na-2H]- 182.05873 138.1
[M]+ 161.08351 127.1
[M]- 161.08461 127.1
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