CID 2764165

(3-phenyl-1,2-oxazol-5-yl)methanamine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

174.07932 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe