CID 43498382

2-phenyl-1,4-oxazepane

Structural Information

Molecular Formula
C11H15NO
SMILES
C1CNCC(OC1)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-12H,4,7-9H2
InChIKey
IZUBNDQLSFWKRL-UHFFFAOYSA-N
Compound name
2-phenyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.8
[M+Na]+ 200.10459 138.6
[M-H]- 176.10809 140.3
[M+NH4]+ 195.14919 150.7
[M+K]+ 216.07853 140.8
[M+H-H2O]+ 160.11263 128.9
[M+HCOO]- 222.11357 152.8
[M+CH3COO]- 236.12922 146.8
[M+Na-2H]- 198.09004 142.4
[M]+ 177.11482 127.3
[M]- 177.11592 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

patents stripe