CID 18947655

1041053-44-4

Structural Information

Molecular Formula
C4H6N2O
SMILES
C1=COC(=N1)CN
InChI
InChI=1S/C4H6N2O/c5-3-4-6-1-2-7-4/h1-2H,3,5H2
InChIKey
ZLKZGKDNYHEPFV-UHFFFAOYSA-N
Compound name
1,3-oxazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

709
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]+ 121.037228 123.2
[M-H]- 97.040734 117.4
[M+NH4]+ 116.081833 136.5
[M+K]+ 137.011168 123.8
[M+H-H2O]+ 81.045270 108.7
[M+HCOO]- 143.046211 140.0
[M+CH3COO]- 157.061861 164.9
[M+Na-2H]- 119.022676 123.4
[M]+ 98.04746142 114.2
[M]- 98.04855858 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

No literature data available for this compound.

Patent stripe

patents stripe