CID 3037167

Drinidene

Structural Information

Molecular Formula
C10H9NO
SMILES
C\1C2=CC=CC=C2C(=O)/C1=C/N
InChI
InChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6H,5,11H2/b8-6+
InChIKey
HJOUSWJOPKLCGA-SOFGYWHQSA-N
Compound name
(2E)-2-(aminomethylidene)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

393
Patents

159.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 131.0
[M+Na]+ 182.05764 140.1
[M-H]- 158.06114 135.6
[M+NH4]+ 177.10224 154.6
[M+K]+ 198.03158 136.4
[M+H-H2O]+ 142.06568 126.0
[M+HCOO]- 204.06662 155.6
[M+CH3COO]- 218.08227 178.0
[M+Na-2H]- 180.04309 136.5
[M]+ 159.06787 128.4
[M]- 159.06897 128.4
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

No patent data available for this compound.