CID 18886

3414-70-8

Structural Information

Molecular Formula
C13H15N3O3
SMILES
C1COCCN1CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H15N3O3/c17-16(18)11-1-2-13-12(7-11)10(8-14-13)9-15-3-5-19-6-4-15/h1-2,7-8,14H,3-6,9H2
InChIKey
LINZZROYNSDZPC-UHFFFAOYSA-N
Compound name
4-[(5-nitro-1H-indol-3-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

261.11133 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 155.6
[M+Na]+ 284.10055 161.3
[M-H]- 260.10405 159.6
[M+NH4]+ 279.14515 169.1
[M+K]+ 300.07449 154.1
[M+H-H2O]+ 244.10859 151.6
[M+HCOO]- 306.10953 174.1
[M+CH3COO]- 320.12518 186.1
[M+Na-2H]- 282.08600 163.1
[M]+ 261.11078 151.6
[M]- 261.11188 151.6
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