CID 30408

4h-1,3-benzoxazin-4-one, 2,3-dihydro-3-propyl-

Structural Information

Molecular Formula
C11H13NO2
SMILES
CCCN1COC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H13NO2/c1-2-7-12-8-14-10-6-4-3-5-9(10)11(12)13/h3-6H,2,7-8H2,1H3
InChIKey
NULIEPRMFAOWHI-UHFFFAOYSA-N
Compound name
3-propyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 139.7
[M+Na]+ 214.083858 147.9
[M-H]- 190.087364 143.3
[M+NH4]+ 209.128463 157.9
[M+K]+ 230.057798 146.4
[M+H-H2O]+ 174.091900 132.8
[M+HCOO]- 236.092841 159.1
[M+CH3COO]- 250.108491 183.6
[M+Na-2H]- 212.069306 147.6
[M]+ 191.09409142 140.3
[M]- 191.09518858 140.3
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.