CID 4486698

Chroman-4-one oxime

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1COC2=CC=CC=C2C1=NO
InChI
InChI=1S/C9H9NO2/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2
InChIKey
LOWLISSVPQGXNV-UHFFFAOYSA-N
Compound name
N-(2,3-dihydrochromen-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

163.06332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 129.5
[M+Na]+ 186.05254 136.8
[M-H]- 162.05604 134.6
[M+NH4]+ 181.09714 149.7
[M+K]+ 202.02648 135.9
[M+H-H2O]+ 146.06058 123.5
[M+HCOO]- 208.06152 151.9
[M+CH3COO]- 222.07717 177.9
[M+Na-2H]- 184.03799 139.7
[M]+ 163.06277 127.7
[M]- 163.06387 127.7
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