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]+ 234.12370 150.5
[M+Na]+ 256.10564 158.7
[M-H]- 232.10914 152.7
[M+NH4]+ 251.15024 168.8
[M+K]+ 272.07958 154.9
[M+H-H2O]+ 216.11368 143.6
[M+HCOO]- 278.11462 174.5
[M+CH3COO]- 292.13027 192.1
[M+Na-2H]- 254.09109 155.7
[M]+ 233.11587 150.9
[M]- 233.11697 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.