CID 61728830

[(3-bromothiophen-2-yl)methyl][2-(morpholin-4-yl)ethyl]amine

Structural Information

Molecular Formula
C11H17BrN2OS
SMILES
C1COCCN1CCNCC2=C(C=CS2)Br
InChI
InChI=1S/C11H17BrN2OS/c12-10-1-8-16-11(10)9-13-2-3-14-4-6-15-7-5-14/h1,8,13H,2-7,9H2
InChIKey
KVYOZXQHSQJLIQ-UHFFFAOYSA-N
Compound name
N-[(3-bromothiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0245 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.03178 155.4
[M+Na]+ 327.01372 164.6
[M-H]- 303.01722 163.3
[M+NH4]+ 322.05832 173.8
[M+K]+ 342.98766 153.9
[M+H-H2O]+ 287.02176 154.6
[M+HCOO]- 349.02270 169.7
[M+CH3COO]- 363.03835 197.7
[M+Na-2H]- 324.99917 158.9
[M]+ 304.02395 173.4
[M]- 304.02505 173.4
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.