CID 598875

27387-31-1

Structural Information

Molecular Formula
C13H13NO
SMILES
CN1C2=C(C(=O)CCC2)C3=CC=CC=C31
InChI
InChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3
InChIKey
HHJUJCWZKJMCLC-UHFFFAOYSA-N
Compound name
9-methyl-2,3-dihydro-1H-carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

199.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 141.4
[M+Na]+ 222.08894 151.9
[M-H]- 198.09244 146.1
[M+NH4]+ 217.13354 163.8
[M+K]+ 238.06288 147.5
[M+H-H2O]+ 182.09698 135.1
[M+HCOO]- 244.09792 162.8
[M+CH3COO]- 258.11357 155.4
[M+Na-2H]- 220.07439 147.8
[M]+ 199.09917 142.0
[M]- 199.10027 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe