CID 5216162

6-methoxy-1-tetralone oxime

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC1=CC2=C(C=C1)C(=NO)CCC2
InChI
InChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(10)12-13/h5-7,13H,2-4H2,1H3
InChIKey
QEPLWBMPKVIAOH-UHFFFAOYSA-N
Compound name
N-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

191.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 138.4
[M+Na]+ 214.083858 145.6
[M-H]- 190.087364 142.8
[M+NH4]+ 209.128463 159.0
[M+K]+ 230.057798 143.3
[M+H-H2O]+ 174.091900 132.3
[M+HCOO]- 236.092841 161.0
[M+CH3COO]- 250.108491 185.1
[M+Na-2H]- 212.069306 145.9
[M]+ 191.09409142 137.1
[M]- 191.09518858 137.1
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