CID 11790505

99614-64-9

Structural Information

Molecular Formula
C14H13NO
SMILES
CN1C2=C(C3=CC=CC=C31)C(=O)C(=C)CC2
InChI
InChI=1S/C14H13NO/c1-9-7-8-12-13(14(9)16)10-5-3-4-6-11(10)15(12)2/h3-6H,1,7-8H2,2H3
InChIKey
AGQJDIDJKSFVTC-UHFFFAOYSA-N
Compound name
9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

211.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.106996 144.8
[M+Na]+ 234.088938 156.1
[M-H]- 210.092444 149.7
[M+NH4]+ 229.133543 166.9
[M+K]+ 250.062878 150.8
[M+H-H2O]+ 194.096980 138.6
[M+HCOO]- 256.097921 166.0
[M+CH3COO]- 270.113571 158.7
[M+Na-2H]- 232.074386 149.9
[M]+ 211.09917142 145.4
[M]- 211.10026858 145.4
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