CID 116990988

2-(hydroxymethyl)-4-methyl-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C10H11NO3
SMILES
CN1C2=CC=CC=C2OC(C1=O)CO
InChI
InChI=1S/C10H11NO3/c1-11-7-4-2-3-5-8(7)14-9(6-12)10(11)13/h2-5,9,12H,6H2,1H3
InChIKey
PHTUGXRXQADOMO-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 138.7
[M+Na]+ 216.063118 147.7
[M-H]- 192.066624 141.5
[M+NH4]+ 211.107723 156.4
[M+K]+ 232.037058 146.2
[M+H-H2O]+ 176.071160 132.4
[M+HCOO]- 238.072101 157.0
[M+CH3COO]- 252.087751 181.3
[M+Na-2H]- 214.048566 146.0
[M]+ 193.07335142 139.0
[M]- 193.07444858 139.0
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.