CID 288309

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

Structural Information

Molecular Formula
C10H12N2
SMILES
C1CN2CC1NC3=CC=CC=C32
InChI
InChI=1S/C10H12N2/c1-2-4-10-9(3-1)11-8-5-6-12(10)7-8/h1-4,8,11H,5-7H2
InChIKey
UPLBBJGUPFZNAJ-UHFFFAOYSA-N
Compound name
1,8-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 132.7
[M+Na]+ 183.08927 140.4
[M-H]- 159.09277 132.2
[M+NH4]+ 178.13387 154.6
[M+K]+ 199.06321 136.2
[M+H-H2O]+ 143.09731 126.0
[M+HCOO]- 205.09825 148.9
[M+CH3COO]- 219.11390 144.8
[M+Na-2H]- 181.07472 140.5
[M]+ 160.09950 128.5
[M]- 160.10060 128.5
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

No patent data available for this compound.