CID 2733992

5-amino-2-methylindole

Structural Information

Molecular Formula
C9H10N2
SMILES
CC1=CC2=C(N1)C=CC(=C2)N
InChI
InChI=1S/C9H10N2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,10H2,1H3
InChIKey
JQULCCZIXYRBSE-UHFFFAOYSA-N
Compound name
2-methyl-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

849
Patents

146.0844 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 127.4
[M+Na]+ 169.07362 138.0
[M-H]- 145.07712 129.9
[M+NH4]+ 164.11822 149.8
[M+K]+ 185.04756 133.8
[M+H-H2O]+ 129.08166 121.8
[M+HCOO]- 191.08260 151.8
[M+CH3COO]- 205.09825 141.9
[M+Na-2H]- 167.05907 134.9
[M]+ 146.08385 126.1
[M]- 146.08495 126.1
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