CID 76875

2-indanone oxime

Structural Information

Molecular Formula
C9H9NO
SMILES
C1C(=NO)CC2=CC=CC=C21
InChI
InChI=1S/C9H9NO/c11-10-9-5-7-3-1-2-4-8(7)6-9/h1-4,11H,5-6H2
InChIKey
UJLFLOAXKVGYIA-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroinden-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

147.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 127.1
[M+Na]+ 170.057638 135.3
[M-H]- 146.061144 131.9
[M+NH4]+ 165.102243 151.1
[M+K]+ 186.031578 132.8
[M+H-H2O]+ 130.065680 121.8
[M+HCOO]- 192.066621 152.4
[M+CH3COO]- 206.082271 175.4
[M+Na-2H]- 168.043086 134.8
[M]+ 147.06787142 125.4
[M]- 147.06896858 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe