CID 12782123

20678-82-4

Structural Information

Molecular Formula
C11H13NO
SMILES
CN1C(=O)CCCC2=CC=CC=C21
InChI
InChI=1S/C11H13NO/c1-12-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-3,5,7H,4,6,8H2,1H3
InChIKey
ZWFBAQAIVGHQLF-UHFFFAOYSA-N
Compound name
1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

175.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 132.7
[M+Na]+ 198.088938 139.4
[M-H]- 174.092444 137.1
[M+NH4]+ 193.133543 151.7
[M+K]+ 214.062878 140.7
[M+H-H2O]+ 158.096980 127.3
[M+HCOO]- 220.097921 152.3
[M+CH3COO]- 234.113571 145.5
[M+Na-2H]- 196.074386 139.6
[M]+ 175.09917142 128.4
[M]- 175.10026858 128.4
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

patents stripe