CID 386459

24919-43-5

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CC2CNC3=CC=CC=C3CN2C1
InChI
InChI=1S/C12H16N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-2,4,6,11,13H,3,5,7-9H2
InChIKey
QZLFCLRNSOXWFA-UHFFFAOYSA-N
Compound name
6,6a,7,8,9,11-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.13135 Da
Monoisotopic Mass

2.1
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

patents stripe