CID 84661615

2,8-diazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-triene

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CC2CNCC3=CC=CC=C3N2C1
InChI
InChI=1S/C12H16N2/c1-2-6-12-10(4-1)8-13-9-11-5-3-7-14(11)12/h1-2,4,6,11,13H,3,5,7-9H2
InChIKey
NFYVHOGYBQYTEK-UHFFFAOYSA-N
Compound name
2,3,3a,4,5,6-hexahydro-1H-pyrrolo[1,2-a][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 140.4
[M+Na]+ 211.12057 145.9
[M-H]- 187.12407 142.5
[M+NH4]+ 206.16517 159.3
[M+K]+ 227.09451 144.2
[M+H-H2O]+ 171.12861 133.5
[M+HCOO]- 233.12955 155.8
[M+CH3COO]- 247.14520 151.3
[M+Na-2H]- 209.10602 145.8
[M]+ 188.13080 132.3
[M]- 188.13190 132.3
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.