CID 1381964

3-(2-aminoethyl)-2-methyl-1h-indole-5-carbonitrile hydrochloride

Structural Information

Molecular Formula
C12H13N3
SMILES
CC1=C(C2=C(N1)C=CC(=C2)C#N)CCN
InChI
InChI=1S/C12H13N3/c1-8-10(4-5-13)11-6-9(7-14)2-3-12(11)15-8/h2-3,6,15H,4-5,13H2,1H3
InChIKey
BHBPLYYWOXKDTI-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-2-methyl-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 148.0
[M+Na]+ 222.100168 159.8
[M-H]- 198.103674 149.3
[M+NH4]+ 217.144773 166.0
[M+K]+ 238.074108 153.4
[M+H-H2O]+ 182.108210 135.0
[M+HCOO]- 244.109151 167.3
[M+CH3COO]- 258.124801 159.3
[M+Na-2H]- 220.085616 152.1
[M]+ 199.11040142 142.7
[M]- 199.11149858 142.7
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