CID 23120090

5-methyl-2,3,4,5-tetrahydro-1h-1-benzazepine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1CCCNC2=CC=CC=C12
InChI
InChI=1S/C11H15N/c1-9-5-4-8-12-11-7-3-2-6-10(9)11/h2-3,6-7,9,12H,4-5,8H2,1H3
InChIKey
IMVHEPOFTIRWHU-UHFFFAOYSA-N
Compound name
5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 131.6
[M+Na]+ 184.109668 136.7
[M-H]- 160.113174 134.2
[M+NH4]+ 179.154273 150.3
[M+K]+ 200.083608 137.1
[M+H-H2O]+ 144.117710 126.4
[M+HCOO]- 206.118651 149.3
[M+CH3COO]- 220.134301 143.5
[M+Na-2H]- 182.095116 138.6
[M]+ 161.11990142 124.4
[M]- 161.12099858 124.4
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