CID 52570

73816-61-2

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CNC(=O)OC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C12H15N3O2/c1-14-12(16)17-9-2-3-11-10(6-9)8(4-5-13)7-15-11/h2-3,6-7,15H,4-5,13H2,1H3,(H,14,16)
InChIKey
ZRUKPIJKOHBUNC-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 150.5
[M+Na]+ 256.105638 158.7
[M-H]- 232.109144 152.7
[M+NH4]+ 251.150243 168.8
[M+K]+ 272.079578 154.9
[M+H-H2O]+ 216.113680 143.6
[M+HCOO]- 278.114621 174.5
[M+CH3COO]- 292.130271 192.1
[M+Na-2H]- 254.091086 155.7
[M]+ 233.11587142 150.9
[M]- 233.11696858 150.9
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.