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]+ 194.08118 138.7
[M+Na]+ 216.06312 147.7
[M-H]- 192.06662 141.5
[M+NH4]+ 211.10772 156.4
[M+K]+ 232.03706 146.2
[M+H-H2O]+ 176.07116 132.4
[M+HCOO]- 238.07210 157.0
[M+CH3COO]- 252.08775 181.3
[M+Na-2H]- 214.04857 146.0
[M]+ 193.07335 139.0
[M]- 193.07445 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.