CID 371952

Nsc646709

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CC1C2=NC=C(C3=CC=CC=C3O2)O
InChI
InChI=1S/C12H11NO2/c14-10-7-13-12(8-5-6-8)15-11-4-2-1-3-9(10)11/h1-4,7-8,14H,5-6H2
InChIKey
SCLIIBDWIGVZNQ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,3-benzoxazepin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 136.9
[M+Na]+ 224.06820 145.9
[M-H]- 200.07170 144.6
[M+NH4]+ 219.11280 148.5
[M+K]+ 240.04214 147.4
[M+H-H2O]+ 184.07624 130.6
[M+HCOO]- 246.07718 156.9
[M+CH3COO]- 260.09283 149.5
[M+Na-2H]- 222.05365 145.5
[M]+ 201.07843 137.4
[M]- 201.07953 137.4
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.