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]+ 180.10192 137.0
[M+Na]+ 202.08386 144.9
[M-H]- 178.08736 139.4
[M+NH4]+ 197.12846 155.1
[M+K]+ 218.05780 143.4
[M+H-H2O]+ 162.09190 130.6
[M+HCOO]- 224.09284 155.0
[M+CH3COO]- 238.10849 178.8
[M+Na-2H]- 200.06931 144.9
[M]+ 179.09409 136.1
[M]- 179.09519 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