CID 21821952

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

Structural Information

Molecular Formula
C10H14N2
SMILES
CN1CCNCC2=CC=CC=C21
InChI
InChI=1S/C10H14N2/c1-12-7-6-11-8-9-4-2-3-5-10(9)12/h2-5,11H,6-8H2,1H3
InChIKey
QEHRLRCOYMVAFL-UHFFFAOYSA-N
Compound name
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

162.11569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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