CID 83851734

2742656-34-2

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
C1=C(ON=C1Cl)CN
InChI
InChI=1S/C4H5ClN2O/c5-4-1-3(2-6)8-7-4/h1H,2,6H2
InChIKey
COTVQLZWFZYSFG-UHFFFAOYSA-N
Compound name
(3-chloro-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.00903 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.01631 122.1
[M+Na]+ 154.99825 132.3
[M-H]- 131.00175 124.9
[M+NH4]+ 150.04285 143.6
[M+K]+ 170.97219 130.7
[M+H-H2O]+ 115.00629 116.9
[M+HCOO]- 177.00723 142.6
[M+CH3COO]- 191.02288 170.0
[M+Na-2H]- 152.98370 129.4
[M]+ 132.00848 123.7
[M]- 132.00958 123.7
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.