CID 3034606

34773-01-8

Structural Information

Molecular Formula
C12H13NO
SMILES
CN(C)/C=C\1/CC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H13NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12(10)14/h3-6,8H,7H2,1-2H3/b10-8-
InChIKey
PTVLHYNESKGNCV-NTMALXAHSA-N
Compound name
(2Z)-2-(dimethylaminomethylidene)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

187.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 140.0
[M+Na]+ 210.088938 148.3
[M-H]- 186.092444 146.1
[M+NH4]+ 205.133543 163.3
[M+K]+ 226.062878 145.8
[M+H-H2O]+ 170.096980 134.4
[M+HCOO]- 232.097921 165.0
[M+CH3COO]- 246.113571 188.3
[M+Na-2H]- 208.074386 144.6
[M]+ 187.09917142 140.3
[M]- 187.10026858 140.3
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