CID 3064261

102043-55-0

Structural Information

Molecular Formula
C13H15BrN2O
SMILES
C1COCCN1CC2=CNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C13H15BrN2O/c14-11-1-2-13-12(7-11)10(8-15-13)9-16-3-5-17-6-4-16/h1-2,7-8,15H,3-6,9H2
InChIKey
SNQRPKFNROMGEL-UHFFFAOYSA-N
Compound name
4-[(5-bromo-1H-indol-3-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.03677 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04405 160.7
[M+Na]+ 317.02599 171.4
[M-H]- 293.02949 167.3
[M+NH4]+ 312.07059 178.1
[M+K]+ 332.99993 160.3
[M+H-H2O]+ 277.03403 159.6
[M+HCOO]- 339.03497 176.3
[M+CH3COO]- 353.05062 173.8
[M+Na-2H]- 315.01144 166.8
[M]+ 294.03622 177.1
[M]- 294.03732 177.1
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.