CID 82418815

1-(4-ethyl-1,3-oxazol-5-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C6H10N2O
SMILES
CCC1=C(OC=N1)CN
InChI
InChI=1S/C6H10N2O/c1-2-5-6(3-7)9-4-8-5/h4H,2-3,7H2,1H3
InChIKey
CWBBWPSWZGRMMV-UHFFFAOYSA-N
Compound name
(4-ethyl-1,3-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.079315 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 124.0
[M+Na]+ 149.06853 132.8
[M-H]- 125.07204 126.9
[M+NH4]+ 144.11314 145.2
[M+K]+ 165.04247 132.7
[M+H-H2O]+ 109.07658 118.0
[M+HCOO]- 171.07752 148.7
[M+CH3COO]- 185.09317 172.1
[M+Na-2H]- 147.05398 131.0
[M]+ 126.07877 124.7
[M]- 126.07986 124.7
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.