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 138.3
[M-H]- 161.10841 133.0
[M+NH4]+ 180.14951 149.6
[M+K]+ 201.07885 137.9
[M+H-H2O]+ 145.11295 126.4
[M+HCOO]- 207.11389 148.3
[M+CH3COO]- 221.12954 143.8
[M+Na-2H]- 183.09036 140.0
[M]+ 162.11514 124.2
[M]- 162.11624 124.2
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