CID 26967189

914637-02-8

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CCC2=NC=C(N2CC1)C=O
InChI
InChI=1S/C9H12N2O/c12-7-8-6-10-9-4-2-1-3-5-11(8)9/h6-7H,1-5H2
InChIKey
OSYKOLZHMZYEHJ-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 131.3
[M+Na]+ 187.08418 137.8
[M-H]- 163.08768 134.1
[M+NH4]+ 182.12878 150.7
[M+K]+ 203.05812 138.8
[M+H-H2O]+ 147.09222 124.1
[M+HCOO]- 209.09316 150.7
[M+CH3COO]- 223.10881 143.8
[M+Na-2H]- 185.06963 136.9
[M]+ 164.09441 126.9
[M]- 164.09551 126.9
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.