CID 23404337

1196156-45-2

Structural Information

Molecular Formula
C4H6N2O
SMILES
C1=C(OC=N1)CN
InChI
InChI=1S/C4H6N2O/c5-1-4-2-6-3-7-4/h2-3H,1,5H2
InChIKey
ZPIDZCBCCUTEEI-UHFFFAOYSA-N
Compound name
1,3-oxazol-5-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

98.04801 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 114.6
[M+Na]+ 121.03723 123.2
[M-H]- 97.040734 117.4
[M+NH4]+ 116.08183 136.5
[M+K]+ 137.01117 123.8
[M+H-H2O]+ 81.045270 108.7
[M+HCOO]- 143.04621 140.0
[M+CH3COO]- 157.06186 164.9
[M+Na-2H]- 119.02268 123.4
[M]+ 98.047461 114.2
[M]- 98.048559 114.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe