CID 65332756

1-(5,7-dimethyl-1h-indol-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=CC(=C2C(=C1)C=C(N2)C(C)N)C
InChI
InChI=1S/C12H16N2/c1-7-4-8(2)12-10(5-7)6-11(14-12)9(3)13/h4-6,9,14H,13H2,1-3H3
InChIKey
PMDJAMRVDSNOTQ-UHFFFAOYSA-N
Compound name
1-(5,7-dimethyl-1H-indol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.2
[M+Na]+ 211.12057 152.1
[M-H]- 187.12407 144.7
[M+NH4]+ 206.16517 163.2
[M+K]+ 227.09451 147.7
[M+H-H2O]+ 171.12861 136.4
[M+HCOO]- 233.12955 164.6
[M+CH3COO]- 247.14520 186.0
[M+Na-2H]- 209.10602 146.1
[M]+ 188.13080 141.8
[M]- 188.13190 141.8
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

No patent data available for this compound.