CID 69332622

4-chloro-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C3H3ClN2O
SMILES
C1=NOC(=C1Cl)N
InChI
InChI=1S/C3H3ClN2O/c4-2-1-6-7-3(2)5/h1H,5H2
InChIKey
GSCHVWCFNFEEFP-UHFFFAOYSA-N
Compound name
4-chloro-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

117.99339 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.00067 117.4
[M+Na]+ 140.98261 127.9
[M-H]- 116.98611 120.3
[M+NH4]+ 136.02721 139.5
[M+K]+ 156.95655 126.6
[M+H-H2O]+ 100.99065 112.4
[M+HCOO]- 162.99159 138.2
[M+CH3COO]- 177.00724 166.9
[M+Na-2H]- 138.96806 125.2
[M]+ 117.99284 118.5
[M]- 117.99394 118.5
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