CID 10464614

160732-79-6

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1CCC2=CC=CC=C2CN1

InChI

InChI=1S/C11H15N/c1-9-6-7-10-4-2-3-5-11(10)8-12-9/h2-5,9,12H,6-8H2,1H3

InChIKey

MITUDJTZQWQOQO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 161.12045 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe