CID 165592980

2731007-95-5

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
C1=C(C(=NO1)CN)Cl
InChI
InChI=1S/C4H5ClN2O/c5-3-2-8-7-4(3)1-6/h2H,1,6H2
InChIKey
GOTZJMBLNBCKRV-UHFFFAOYSA-N
Compound name
(4-chloro-1,2-oxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.00903 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.016306 122.1
[M+Na]+ 154.998248 132.3
[M-H]- 131.001754 124.9
[M+NH4]+ 150.042853 143.6
[M+K]+ 170.972188 130.7
[M+H-H2O]+ 115.006290 116.9
[M+HCOO]- 177.007231 142.6
[M+CH3COO]- 191.022881 170.0
[M+Na-2H]- 152.983696 129.4
[M]+ 132.00848142 123.7
[M]- 132.00957858 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.