CID 54594686

2-(6-chloro-1-methyl-1h-indol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H13ClN2
SMILES
CN1C=C(C2=C1C=C(C=C2)Cl)CCN
InChI
InChI=1S/C11H13ClN2/c1-14-7-8(4-5-13)10-3-2-9(12)6-11(10)14/h2-3,6-7H,4-5,13H2,1H3
InChIKey
NMJHXWWLVGWIEP-UHFFFAOYSA-N
Compound name
2-(6-chloro-1-methylindol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

208.07672 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08400 144.4
[M+Na]+ 231.06594 156.1
[M-H]- 207.06944 147.9
[M+NH4]+ 226.11054 166.1
[M+K]+ 247.03988 150.4
[M+H-H2O]+ 191.07398 138.8
[M+HCOO]- 253.07492 164.8
[M+CH3COO]- 267.09057 158.4
[M+Na-2H]- 229.05139 149.7
[M]+ 208.07617 147.9
[M]- 208.07727 147.9
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