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: 91
Patents: 211.09972 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.10700	144.8
[M+Na]+	234.08894	156.1
[M-H]-	210.09244	149.7
[M+NH4]+	229.13354	166.9
[M+K]+	250.06288	150.8
[M+H-H2O]+	194.09698	138.6
[M+HCOO]-	256.09792	166.0
[M+CH3COO]-	270.11357	158.7
[M+Na-2H]-	232.07439	149.9
[M]+	211.09917	145.4
[M]-	211.10027	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe