CID 29082

Brn 1218587

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CCC(=O)NN1CC2=CC=CC=C2OC1=O
InChI
InChI=1S/C11H12N2O3/c1-2-10(14)12-13-7-8-5-3-4-6-9(8)16-11(13)15/h3-6H,2,7H2,1H3,(H,12,14)
InChIKey
URORCGJQVHAPKG-UHFFFAOYSA-N
Compound name
N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.3
[M+Na]+ 243.07402 153.5
[M-H]- 219.07752 149.9
[M+NH4]+ 238.11862 162.7
[M+K]+ 259.04796 152.4
[M+H-H2O]+ 203.08206 139.0
[M+HCOO]- 265.08300 166.0
[M+CH3COO]- 279.09865 190.1
[M+Na-2H]- 241.05947 153.3
[M]+ 220.08425 146.2
[M]- 220.08535 146.2
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.