CID 151295

55747-72-3

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CCN
InChI
InChI=1S/C10H11N3O2/c11-4-3-7-6-12-10-2-1-8(13(14)15)5-9(7)10/h1-2,5-6,12H,3-4,11H2
InChIKey
GPZRBKWRRKBOAC-UHFFFAOYSA-N
Compound name
2-(5-nitro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

205.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 139.8
[M+Na]+ 228.07435 148.1
[M-H]- 204.07785 142.1
[M+NH4]+ 223.11895 158.6
[M+K]+ 244.04829 140.0
[M+H-H2O]+ 188.08239 138.0
[M+HCOO]- 250.08333 164.9
[M+CH3COO]- 264.09898 179.0
[M+Na-2H]- 226.05980 148.3
[M]+ 205.08458 137.5
[M]- 205.08568 137.5
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