CID 4435997

883815-95-0

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC1C2=CC=CC=C2OCC(=O)N1
InChI
InChI=1S/C10H11NO2/c1-7-8-4-2-3-5-9(8)13-6-10(12)11-7/h2-5,7H,6H2,1H3,(H,11,12)
InChIKey
YAFLPNFNQMDCIO-UHFFFAOYSA-N
Compound name
5-methyl-4,5-dihydro-1,4-benzoxazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 131.9
[M+Na]+ 200.06820 138.5
[M-H]- 176.07170 135.6
[M+NH4]+ 195.11280 148.8
[M+K]+ 216.04214 140.7
[M+H-H2O]+ 160.07624 126.5
[M+HCOO]- 222.07718 149.6
[M+CH3COO]- 236.09283 144.4
[M+Na-2H]- 198.05365 139.5
[M]+ 177.07843 127.3
[M]- 177.07953 127.3
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

No patent data available for this compound.