CID 11961606

32900-36-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CN1CCCNC2=CC=CC=C21

InChI

InChI=1S/C10H14N2/c1-12-8-4-7-11-9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3

InChIKey

QTUHHZFSIDSGRC-UHFFFAOYSA-N

Compound name

5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 162.11569 Da
Monoisotopic Mass: 2.2
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]+	163.12297	132.1
[M+Na]+	185.10491	137.8
[M-H]-	161.10841	133.4
[M+NH4]+	180.14951	149.4
[M+K]+	201.07885	138.2
[M+H-H2O]+	145.11295	125.3
[M+HCOO]-	207.11389	148.8
[M+CH3COO]-	221.12954	143.6
[M+Na-2H]-	183.09036	139.6
[M]+	162.11514	125.1
[M]-	162.11624	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe