CID 75357445

(4-methyl-3,4-dihydro-2h-1,4-benzoxazin-6-yl)methanol

Structural Information

Molecular Formula
C10H13NO2
SMILES
CN1CCOC2=C1C=C(C=C2)CO
InChI
InChI=1S/C10H13NO2/c1-11-4-5-13-10-3-2-8(7-12)6-9(10)11/h2-3,6,12H,4-5,7H2,1H3
InChIKey
CEXPHEHOIYBJSS-UHFFFAOYSA-N
Compound name
(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

179.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 137.0
[M+Na]+ 202.083858 144.9
[M-H]- 178.087364 139.4
[M+NH4]+ 197.128463 155.1
[M+K]+ 218.057798 143.4
[M+H-H2O]+ 162.091900 130.6
[M+HCOO]- 224.092841 155.0
[M+CH3COO]- 238.108491 178.8
[M+Na-2H]- 200.069306 144.9
[M]+ 179.09409142 136.1
[M]- 179.09518858 136.1
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