CID 14025914

2,2-dimethyl-1,4-dihydro-2h-benzo[d][1,3]oxazine

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1(NC2=CC=CC=C2CO1)C
InChI
InChI=1S/C10H13NO/c1-10(2)11-9-6-4-3-5-8(9)7-12-10/h3-6,11H,7H2,1-2H3
InChIKey
MAEQOIDZBKIVHI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,4-dihydro-3,1-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

163.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.8
[M+Na]+ 186.08894 141.9
[M-H]- 162.09244 136.3
[M+NH4]+ 181.13354 154.4
[M+K]+ 202.06288 140.1
[M+H-H2O]+ 146.09698 127.9
[M+HCOO]- 208.09792 151.6
[M+CH3COO]- 222.11357 146.9
[M+Na-2H]- 184.07439 143.5
[M]+ 163.09917 131.4
[M]- 163.10027 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe