CID 76876

Tetralone-1-oxime

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC2=CC=CC=C2C(=NO)C1
InChI
InChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2
InChIKey
YFDVQUUMKXZPLK-UHFFFAOYSA-N
Compound name
N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

161.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 130.6
[M+Na]+ 184.073278 137.5
[M-H]- 160.076784 134.9
[M+NH4]+ 179.117883 152.2
[M+K]+ 200.047218 134.8
[M+H-H2O]+ 144.081320 124.8
[M+HCOO]- 206.082261 153.5
[M+CH3COO]- 220.097911 178.8
[M+Na-2H]- 182.058726 139.4
[M]+ 161.08351142 127.2
[M]- 161.08460858 127.2
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