CID 11008652

2a,3,4,5-tetrahydro-1-methylbenz(cd)indol-2(1h)-one

Structural Information

Molecular Formula
C12H13NO
SMILES
CN1C2=CC=CC3=C2C(C1=O)CCC3
InChI
InChI=1S/C12H13NO/c1-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h3,5,7,9H,2,4,6H2,1H3
InChIKey
LLWVQXHVPIIHDZ-UHFFFAOYSA-N
Compound name
1-methyl-2a,3,4,5-tetrahydrobenzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.4
[M+Na]+ 210.08894 152.4
[M+NH4]+ 205.13354 149.7
[M+K]+ 226.06288 146.7
[M-H]- 186.09244 141.7
[M+Na-2H]- 208.07439 143.5
[M]+ 187.09917 141.9
[M]- 187.10027 141.9
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