CID 28806806

6-(propan-2-yl)-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(C)C1=CC2=C(C=C1)OCCN2
InChI
InChI=1S/C11H15NO/c1-8(2)9-3-4-11-10(7-9)12-5-6-13-11/h3-4,7-8,12H,5-6H2,1-2H3
InChIKey
IDYJPRMWUQJDGI-UHFFFAOYSA-N
Compound name
6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

177.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.8
[M+Na]+ 200.10459 145.2
[M-H]- 176.10809 140.7
[M+NH4]+ 195.14919 156.7
[M+K]+ 216.07853 143.3
[M+H-H2O]+ 160.11263 132.3
[M+HCOO]- 222.11357 155.3
[M+CH3COO]- 236.12922 179.4
[M+Na-2H]- 198.09004 145.7
[M]+ 177.11482 135.8
[M]- 177.11592 135.8
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