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

2
Patents

199.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 148.0
[M+Na]+ 222.10017 159.8
[M-H]- 198.10367 149.3
[M+NH4]+ 217.14477 166.0
[M+K]+ 238.07411 153.4
[M+H-H2O]+ 182.10821 135.0
[M+HCOO]- 244.10915 167.3
[M+CH3COO]- 258.12480 159.3
[M+Na-2H]- 220.08562 152.1
[M]+ 199.11040 142.7
[M]- 199.11150 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