CID 3043713

56071-36-4

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=CC2=C(C=C1)OCCCC2NC=O
InChI
InChI=1S/C12H15NO2/c1-9-4-5-12-10(7-9)11(13-8-14)3-2-6-15-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,13,14)
InChIKey
ABKCRQCDLGFNJK-UHFFFAOYSA-N
Compound name
N-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.7
[M+Na]+ 228.09950 154.9
[M+NH4]+ 223.14410 152.6
[M+K]+ 244.07344 150.0
[M-H]- 204.10300 148.6
[M+Na-2H]- 226.08495 149.8
[M]+ 205.10973 147.2
[M]- 205.11083 147.2
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

No patent data available for this compound.