CID 75480377

3,4-dihydro-1h-2-benzopyran-1-carboximidamide hydrochloride

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1COC(C2=CC=CC=C21)C(=N)N
InChI
InChI=1S/C10H12N2O/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-4,9H,5-6H2,(H3,11,12)
InChIKey
VIDDUGYQLQPMOP-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isochromene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.2
[M+Na]+ 199.08418 141.9
[M-H]- 175.08768 140.5
[M+NH4]+ 194.12878 155.0
[M+K]+ 215.05812 140.2
[M+H-H2O]+ 159.09222 129.9
[M+HCOO]- 221.09316 157.3
[M+CH3COO]- 235.10881 184.8
[M+Na-2H]- 197.06963 143.7
[M]+ 176.09441 131.1
[M]- 176.09551 131.1
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.