CID 23006272

297172-17-9

Structural Information

Molecular Formula
C5H8N2O
SMILES
CNCC1=NOC=C1
InChI
InChI=1S/C5H8N2O/c1-6-4-5-2-3-8-7-5/h2-3,6H,4H2,1H3
InChIKey
JSJAXEJEZXYKLY-UHFFFAOYSA-N
Compound name
N-methyl-1-(1,2-oxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

112.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 119.0
[M+Na]+ 135.05288 127.2
[M-H]- 111.05638 122.1
[M+NH4]+ 130.09748 140.6
[M+K]+ 151.02682 127.8
[M+H-H2O]+ 95.060920 112.9
[M+HCOO]- 157.06186 144.6
[M+CH3COO]- 171.07751 168.7
[M+Na-2H]- 133.03833 128.2
[M]+ 112.06311 119.9
[M]- 112.06421 119.9
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