CID 13117589

3,5-dimethyl-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1=CC2=C(C=C1)OC(=O)N2C
InChI
InChI=1S/C9H9NO2/c1-6-3-4-8-7(5-6)10(2)9(11)12-8/h3-5H,1-2H3
InChIKey
DTGPFNICWVLWSJ-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

163.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 127.6
[M+Na]+ 186.05254 140.8
[M-H]- 162.05604 133.2
[M+NH4]+ 181.09714 149.7
[M+K]+ 202.02648 139.3
[M+H-H2O]+ 146.06058 122.4
[M+HCOO]- 208.06152 152.8
[M+CH3COO]- 222.07717 177.8
[M+Na-2H]- 184.03799 136.3
[M]+ 163.06277 133.1
[M]- 163.06387 133.1
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