CID 83815789

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

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=C2CNCCOC2=CC=C1
InChI
InChI=1S/C10H13NO/c1-8-3-2-4-10-9(8)7-11-5-6-12-10/h2-4,11H,5-7H2,1H3
InChIKey
VLBUBFJVZRQFSA-UHFFFAOYSA-N
Compound name
6-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 129.8
[M+Na]+ 186.088938 135.3
[M-H]- 162.092444 133.1
[M+NH4]+ 181.133543 147.1
[M+K]+ 202.062878 137.3
[M+H-H2O]+ 146.096980 124.3
[M+HCOO]- 208.097921 147.1
[M+CH3COO]- 222.113571 142.0
[M+Na-2H]- 184.074386 138.1
[M]+ 163.09917142 124.2
[M]- 163.10026858 124.2
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