CID 707167

5-methoxy-n-isopropyltryptamine

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC(C)NCCC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C14H20N2O/c1-10(2)15-7-6-11-9-16-14-5-4-12(17-3)8-13(11)14/h4-5,8-10,15-16H,6-7H2,1-3H3
InChIKey
QQZJNZJNPDORBO-UHFFFAOYSA-N
Compound name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

15
Patents

232.15756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 154.2
[M+Na]+ 255.14678 162.1
[M-H]- 231.15028 156.4
[M+NH4]+ 250.19138 173.2
[M+K]+ 271.12072 158.1
[M+H-H2O]+ 215.15482 147.4
[M+HCOO]- 277.15576 176.7
[M+CH3COO]- 291.17141 193.5
[M+Na-2H]- 253.13223 158.7
[M]+ 232.15701 156.4
[M]- 232.15811 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe