CID 84048588

2126160-44-7

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1C2=CC=CC=C2CCCN1
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11-10-7-3-2-5-9(10)6-4-8-13-11/h2-3,5,7,11,13H,4,6,8H2,1H3
InChIKey
XFXVFBGUOZBYEB-UHFFFAOYSA-N
Compound name
methyl 2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 141.3
[M+Na]+ 228.09950 145.9
[M-H]- 204.10300 143.8
[M+NH4]+ 223.14410 158.1
[M+K]+ 244.07344 147.4
[M+H-H2O]+ 188.10754 135.6
[M+HCOO]- 250.10848 158.3
[M+CH3COO]- 264.12413 184.7
[M+Na-2H]- 226.08495 146.7
[M]+ 205.10973 135.8
[M]- 205.11083 135.8
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.