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
2
Annotation Hits

0
References

421
Patents

159.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 131.0
[M+Na]+ 182.057638 140.1
[M-H]- 158.061144 135.6
[M+NH4]+ 177.102243 154.6
[M+K]+ 198.031578 136.4
[M+H-H2O]+ 142.065680 126.0
[M+HCOO]- 204.066621 155.6
[M+CH3COO]- 218.082271 178.0
[M+Na-2H]- 180.043086 136.5
[M]+ 159.06787142 128.4
[M]- 159.06896858 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

patents stripe