CID 10607082

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

Structural Information

Molecular Formula
C10H14N2
SMILES
CC1=C2C(=CC=C1)CNCCN2
InChI
InChI=1S/C10H14N2/c1-8-3-2-4-9-7-11-5-6-12-10(8)9/h2-4,11-12H,5-7H2,1H3
InChIKey
LCZRNBVXQPCCDG-UHFFFAOYSA-N
Compound name
9-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

162.11569 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 133.0
[M+Na]+ 185.10491 143.6
[M+NH4]+ 180.14951 141.0
[M+K]+ 201.07885 138.6
[M-H]- 161.10841 134.2
[M+Na-2H]- 183.09036 138.9
[M]+ 162.11514 134.8
[M]- 162.11624 134.8
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