CID 67265274

1-methyl-2,3,4,5-tetrahydro-1h-1-benzazepin-7-amine

Structural Information

Molecular Formula
C11H16N2
SMILES
CN1CCCCC2=C1C=CC(=C2)N
InChI
InChI=1S/C11H16N2/c1-13-7-3-2-4-9-8-10(12)5-6-11(9)13/h5-6,8H,2-4,7,12H2,1H3
InChIKey
QQDQUWZZMUOQKN-UHFFFAOYSA-N
Compound name
1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

176.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 135.9
[M+Na]+ 199.12057 141.5
[M-H]- 175.12407 139.7
[M+NH4]+ 194.16517 154.4
[M+K]+ 215.09451 142.7
[M+H-H2O]+ 159.12861 129.9
[M+HCOO]- 221.12955 155.4
[M+CH3COO]- 235.14520 148.0
[M+Na-2H]- 197.10602 142.0
[M]+ 176.13080 129.3
[M]- 176.13190 129.3
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