CID 2763221

(3-bromo-1,2-oxazol-5-yl)methanamine

Structural Information

Molecular Formula
C4H5BrN2O
SMILES
C1=C(ON=C1Br)CN
InChI
InChI=1S/C4H5BrN2O/c5-4-1-3(2-6)8-7-4/h1H,2,6H2
InChIKey
LCFSQWLCIUITOH-UHFFFAOYSA-N
Compound name
(3-bromo-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

175.95853 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.965806 127.0
[M+Na]+ 198.947748 139.7
[M-H]- 174.951254 132.7
[M+NH4]+ 193.992353 149.6
[M+K]+ 214.921688 130.7
[M+H-H2O]+ 158.955790 126.6
[M+HCOO]- 220.956731 149.7
[M+CH3COO]- 234.972381 177.1
[M+Na-2H]- 196.933196 135.8
[M]+ 175.95798142 145.4
[M]- 175.95907858 145.4
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

patents stripe