CID 13260

1-(5-chloro-1h-indol-3-yl)-2-methylpropan-2-amine

Structural Information

Molecular Formula
C12H15ClN2
SMILES
CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)N
InChI
InChI=1S/C12H15ClN2/c1-12(2,14)6-8-7-15-11-4-3-9(13)5-10(8)11/h3-5,7,15H,6,14H2,1-2H3
InChIKey
QRNZKEMEJDHWLR-UHFFFAOYSA-N
Compound name
1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.09238 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09966 150.6
[M+Na]+ 245.08160 161.0
[M-H]- 221.08510 152.6
[M+NH4]+ 240.12620 170.8
[M+K]+ 261.05554 154.6
[M+H-H2O]+ 205.08964 145.5
[M+HCOO]- 267.09058 167.6
[M+CH3COO]- 281.10623 188.1
[M+Na-2H]- 243.06705 156.4
[M]+ 222.09183 151.8
[M]- 222.09293 151.8
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

patents stripe