CID 21865176

453562-71-5

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(=O)N1CC(C2=C1C=C(C=C2)N)(C)C
InChI
InChI=1S/C12H16N2O/c1-8(15)14-7-12(2,3)10-5-4-9(13)6-11(10)14/h4-6H,7,13H2,1-3H3
InChIKey
FDFKETITWKJRNI-UHFFFAOYSA-N
Compound name
1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

204.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 145.4
[M+Na]+ 227.115488 154.9
[M-H]- 203.118994 148.9
[M+NH4]+ 222.160093 168.2
[M+K]+ 243.089428 151.9
[M+H-H2O]+ 187.123530 140.0
[M+HCOO]- 249.124471 166.8
[M+CH3COO]- 263.140121 189.2
[M+Na-2H]- 225.100936 149.0
[M]+ 204.12572142 144.8
[M]- 204.12681858 144.8
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