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

45
Patents

175.95853 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.96581 127.0
[M+Na]+ 198.94775 139.7
[M-H]- 174.95125 132.7
[M+NH4]+ 193.99235 149.6
[M+K]+ 214.92169 130.7
[M+H-H2O]+ 158.95579 126.6
[M+HCOO]- 220.95673 149.7
[M+CH3COO]- 234.97238 177.1
[M+Na-2H]- 196.93320 135.8
[M]+ 175.95798 145.4
[M]- 175.95908 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