CID 28443

17278-48-7

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

16
Patents

204.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 144.5
[M+Na]+ 227.115488 153.6
[M-H]- 203.118994 146.4
[M+NH4]+ 222.160093 164.4
[M+K]+ 243.089428 149.2
[M+H-H2O]+ 187.123530 138.0
[M+HCOO]- 249.124471 168.0
[M+CH3COO]- 263.140121 186.0
[M+Na-2H]- 225.100936 150.3
[M]+ 204.12572142 145.6
[M]- 204.12681858 145.6
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

patents stripe