CID 353510

O-(2,3-dihydro-1h-1,4-diazepin-7-yl)phenol

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CN=CC=C(N1)C2=CC=CC=C2O
InChI
InChI=1S/C11H12N2O/c14-11-4-2-1-3-9(11)10-5-6-12-7-8-13-10/h1-6,13-14H,7-8H2
InChIKey
VDIPTSPWIGWTGG-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-1,4-diazepin-7-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.0
[M+Na]+ 211.084178 144.5
[M-H]- 187.087684 141.4
[M+NH4]+ 206.128783 153.3
[M+K]+ 227.058118 144.8
[M+H-H2O]+ 171.092220 131.3
[M+HCOO]- 233.093161 156.9
[M+CH3COO]- 247.108811 150.0
[M+Na-2H]- 209.069626 145.7
[M]+ 188.09441142 131.9
[M]- 188.09550858 131.9
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