CID 28443

1h-indole, 3-(3-aminopropyl)-5-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
COC1=CC2=C(C=C1)NC=C2CCCN
InChI
InChI=1S/C12H16N2O/c1-15-10-4-5-12-11(7-10)9(8-14-12)3-2-6-13/h4-5,7-8,14H,2-3,6,13H2,1H3
InChIKey
YPFQQRNDLFHEBT-UHFFFAOYSA-N
Compound name
3-(5-methoxy-1H-indol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 144.7
[M+Na]+ 227.11549 156.8
[M+NH4]+ 222.16009 153.0
[M+K]+ 243.08943 151.7
[M-H]- 203.11899 146.7
[M+Na-2H]- 225.10094 150.4
[M]+ 204.12572 146.8
[M]- 204.12682 146.8
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