CID 167714811

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

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1=C(OC(=N1)CN)CO
InChI
InChI=1S/C5H8N2O2/c6-1-5-7-2-4(3-8)9-5/h2,8H,1,3,6H2
InChIKey
LQWMCRUXNNYDPT-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)-1,3-oxazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.05858 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 122.8
[M+Na]+ 151.04780 131.4
[M-H]- 127.05130 124.4
[M+NH4]+ 146.09240 143.0
[M+K]+ 167.02174 131.2
[M+H-H2O]+ 111.05584 117.0
[M+HCOO]- 173.05678 146.5
[M+CH3COO]- 187.07243 168.6
[M+Na-2H]- 149.03325 129.8
[M]+ 128.05803 122.6
[M]- 128.05913 122.7
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.