CID 55290747

[5-(aminomethyl)-1,2-oxazol-3-yl]methanol hydrochloride

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1=C(ON=C1CO)CN
InChI
InChI=1S/C5H8N2O2/c6-2-5-1-4(3-8)7-9-5/h1,8H,2-3,6H2
InChIKey
FEVUUYXACWWJPZ-UHFFFAOYSA-N
Compound name
[5-(aminomethyl)-1,2-oxazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

128.05858 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 122.8
[M+Na]+ 151.047798 131.4
[M-H]- 127.051304 124.4
[M+NH4]+ 146.092403 143.0
[M+K]+ 167.021738 131.2
[M+H-H2O]+ 111.055840 117.0
[M+HCOO]- 173.056781 146.5
[M+CH3COO]- 187.072431 168.6
[M+Na-2H]- 149.033246 129.8
[M]+ 128.05803142 122.6
[M]- 128.05912858 122.6
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