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

6
Patents

161.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 131.6
[M+Na]+ 184.10967 136.7
[M-H]- 160.11317 134.2
[M+NH4]+ 179.15427 150.3
[M+K]+ 200.08361 137.1
[M+H-H2O]+ 144.11771 126.4
[M+HCOO]- 206.11865 149.3
[M+CH3COO]- 220.13430 143.5
[M+Na-2H]- 182.09512 138.6
[M]+ 161.11990 124.4
[M]- 161.12100 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