CID 45078949

3-methyl-1h-indol-5-amine

Structural Information

Molecular Formula
C9H10N2
SMILES
CC1=CNC2=C1C=C(C=C2)N
InChI
InChI=1S/C9H10N2/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,10H2,1H3
InChIKey
CCRZMXSIOMQDCU-UHFFFAOYSA-N
Compound name
3-methyl-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

146.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 127.4
[M+Na]+ 169.073618 138.0
[M-H]- 145.077124 129.9
[M+NH4]+ 164.118223 149.8
[M+K]+ 185.047558 133.8
[M+H-H2O]+ 129.081660 121.8
[M+HCOO]- 191.082601 151.8
[M+CH3COO]- 205.098251 141.9
[M+Na-2H]- 167.059066 134.9
[M]+ 146.08385142 126.1
[M]- 146.08494858 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

No literature data available for this compound.

Patent stripe

patents stripe