CID 52899

74038-95-2

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=C(C2=C(N1)C=CC(=C2)OC)CCN
InChI
InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
InChIKey
TYAPSMFCSAKSOR-UHFFFAOYSA-N
Compound name
2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

81
Patents

204.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 144.8
[M+Na]+ 227.11549 154.8
[M-H]- 203.11899 147.1
[M+NH4]+ 222.16009 165.1
[M+K]+ 243.08943 150.4
[M+H-H2O]+ 187.12353 138.6
[M+HCOO]- 249.12447 168.3
[M+CH3COO]- 263.14012 187.2
[M+Na-2H]- 225.10094 149.9
[M]+ 204.12572 146.3
[M]- 204.12682 146.3
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