CID 345018

Methyl benzimidate hydrochloride

Structural Information

Molecular Formula
C8H9NO
SMILES
COC(=N)C1=CC=CC=C1
InChI
InChI=1S/C8H9NO/c1-10-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKey
SISQKQNJHCDULL-UHFFFAOYSA-N
Compound name
methyl benzenecarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

366
Patents

135.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 126.9
[M+Na]+ 158.05764 139.1
[M+NH4]+ 153.10224 135.9
[M+K]+ 174.03158 132.9
[M-H]- 134.06114 129.7
[M+Na-2H]- 156.04309 134.8
[M]+ 135.06787 129.3
[M]- 135.06897 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe