CID 55767

87896-41-1

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1CC(NC2=CC=CC=C2N1)C=O
InChI
InChI=1S/C11H14N2O/c1-8-6-9(7-14)13-11-5-3-2-4-10(11)12-8/h2-5,7-9,12-13H,6H2,1H3
InChIKey
CCASDHDUGHOAHL-UHFFFAOYSA-N
Compound name
2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 139.8
[M+Na]+ 213.09983 150.1
[M+NH4]+ 208.14443 146.9
[M+K]+ 229.07377 145.5
[M-H]- 189.10333 140.3
[M+Na-2H]- 211.08528 144.6
[M]+ 190.11006 141.3
[M]- 190.11116 141.3
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.