CID 66555

2-methylnaphth[1,2-d]oxazole

Structural Information

Molecular Formula
C12H9NO
SMILES
CC1=NC2=C(O1)C=CC3=CC=CC=C32
InChI
InChI=1S/C12H9NO/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3
InChIKey
JCTNVNANPZAULC-UHFFFAOYSA-N
Compound name
2-methylbenzo[e][1,3]benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2196
Patents

183.06842 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 134.5
[M+Na]+ 206.057638 146.7
[M-H]- 182.061144 140.5
[M+NH4]+ 201.102243 156.3
[M+K]+ 222.031578 143.8
[M+H-H2O]+ 166.065680 128.4
[M+HCOO]- 228.066621 158.2
[M+CH3COO]- 242.082271 149.9
[M+Na-2H]- 204.043086 144.9
[M]+ 183.06787142 138.7
[M]- 183.06896858 138.7
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