CID 137838067

4-(2,3-dihydro-1h-indol-3-yl)butan-2-amine

Structural Information

Molecular Formula
C12H18N2
SMILES
CC(CCC1CNC2=CC=CC=C12)N
InChI
InChI=1S/C12H18N2/c1-9(13)6-7-10-8-14-12-5-3-2-4-11(10)12/h2-5,9-10,14H,6-8,13H2,1H3
InChIKey
GHNGGOZBDOJQCL-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 144.8
[M+Na]+ 213.13622 150.7
[M-H]- 189.13972 145.6
[M+NH4]+ 208.18082 164.8
[M+K]+ 229.11016 146.7
[M+H-H2O]+ 173.14426 138.3
[M+HCOO]- 235.14520 164.2
[M+CH3COO]- 249.16085 184.3
[M+Na-2H]- 211.12167 148.1
[M]+ 190.14645 140.6
[M]- 190.14755 140.6
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.