CID 60174253

3-benzyl-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CC=C(C=C1)CC2=NOC(=C2)N
InChI
InChI=1S/C10H10N2O/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKey
PJEXDUCPZGTNTP-UHFFFAOYSA-N
Compound name
3-benzyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.07932 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 134.8
[M+Na]+ 197.06854 143.3
[M-H]- 173.07204 140.8
[M+NH4]+ 192.11314 153.6
[M+K]+ 213.04248 141.4
[M+H-H2O]+ 157.07658 127.5
[M+HCOO]- 219.07752 159.8
[M+CH3COO]- 233.09317 148.9
[M+Na-2H]- 195.05399 142.0
[M]+ 174.07877 134.5
[M]- 174.07987 134.5
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