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]+ 188.10700 141.0
[M+Na]+ 210.08894 152.8
[M+NH4]+ 205.13354 150.4
[M+K]+ 226.06288 147.5
[M-H]- 186.09244 144.1
[M+Na-2H]- 208.07439 146.6
[M]+ 187.09917 143.4
[M]- 187.10027 143.4
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