CID 11715247

7-amino-4-methyl-1h-indole-3-carbonitrile

Structural Information

Molecular Formula
C10H9N3
SMILES
CC1=C2C(=CNC2=C(C=C1)N)C#N
InChI
InChI=1S/C10H9N3/c1-6-2-3-8(12)10-9(6)7(4-11)5-13-10/h2-3,5,13H,12H2,1H3
InChIKey
SHVBJIBHAKCNMY-UHFFFAOYSA-N
Compound name
7-amino-4-methyl-1H-indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

171.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.08693 140.0
[M+Na]+ 194.06887 152.7
[M-H]- 170.07237 141.7
[M+NH4]+ 189.11347 159.1
[M+K]+ 210.04281 146.7
[M+H-H2O]+ 154.07691 127.4
[M+HCOO]- 216.07785 160.0
[M+CH3COO]- 230.09350 152.2
[M+Na-2H]- 192.05432 145.1
[M]+ 171.07910 134.1
[M]- 171.08020 134.1
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