CID 607984

6-methyl-2,3,4,9-tetrahydro-1h-carbazol-1-one

Structural Information

Molecular Formula
C13H13NO
SMILES
CC1=CC2=C(C=C1)NC3=C2CCCC3=O
InChI
InChI=1S/C13H13NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,14H,2-4H2,1H3
InChIKey
ITWUGZSJDMBOPH-UHFFFAOYSA-N
Compound name
6-methyl-2,3,4,9-tetrahydrocarbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

97
Patents

199.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 141.8
[M+Na]+ 222.08894 151.9
[M-H]- 198.09244 145.1
[M+NH4]+ 217.13354 163.5
[M+K]+ 238.06288 146.6
[M+H-H2O]+ 182.09698 135.8
[M+HCOO]- 244.09792 161.7
[M+CH3COO]- 258.11357 155.1
[M+Na-2H]- 220.07439 147.8
[M]+ 199.09917 140.5
[M]- 199.10027 140.5
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