CID 75480508

3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1COC2=CC=CC=C2CN1
InChI
InChI=1S/C10H13NO/c1-8-7-12-10-5-3-2-4-9(10)6-11-8/h2-5,8,11H,6-7H2,1H3
InChIKey
BJWDNTHNWRNSAZ-UHFFFAOYSA-N
Compound name
3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.6
[M+Na]+ 186.08894 144.8
[M+NH4]+ 181.13354 142.0
[M+K]+ 202.06288 139.9
[M-H]- 162.09244 136.7
[M+Na-2H]- 184.07439 139.4
[M]+ 163.09917 136.1
[M]- 163.10027 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