CID 1574

78263-90-8

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1=C(C2=C(N1)C=CC(=C2)O)CCN
InChI
InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
InChIKey
WYWNEDARFVJQSG-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

245
References

1066
Patents

190.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 140.5
[M+Na]+ 213.099828 150.6
[M-H]- 189.103334 141.6
[M+NH4]+ 208.144433 160.6
[M+K]+ 229.073768 145.5
[M+H-H2O]+ 173.107870 134.8
[M+HCOO]- 235.108811 162.8
[M+CH3COO]- 249.124461 181.8
[M+Na-2H]- 211.085276 145.7
[M]+ 190.11006142 139.9
[M]- 190.11115858 139.9
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