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

92
Patents

171.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 140.0
[M+Na]+ 194.068868 152.7
[M-H]- 170.072374 141.7
[M+NH4]+ 189.113473 159.1
[M+K]+ 210.042808 146.7
[M+H-H2O]+ 154.076910 127.4
[M+HCOO]- 216.077851 160.0
[M+CH3COO]- 230.093501 152.2
[M+Na-2H]- 192.054316 145.1
[M]+ 171.07910142 134.1
[M]- 171.08019858 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