CID 4321806

6487-98-5

Structural Information

Molecular Formula
C9H12N2O
SMILES
COC1=CC=CC(=C1)CC(=N)N
InChI
InChI=1S/C9H12N2O/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
InChIKey
MAJPASBCPDHGFY-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

164.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.6
[M+Na]+ 187.084178 141.2
[M-H]- 163.087684 138.0
[M+NH4]+ 182.128783 154.4
[M+K]+ 203.058118 139.3
[M+H-H2O]+ 147.092220 128.4
[M+HCOO]- 209.093161 160.0
[M+CH3COO]- 223.108811 183.6
[M+Na-2H]- 185.069626 140.3
[M]+ 164.09441142 132.4
[M]- 164.09550858 132.4
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