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

426
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 125.9
[M+Na]+ 158.05764 133.0
[M-H]- 134.06114 129.8
[M+NH4]+ 153.10224 147.4
[M+K]+ 174.03158 131.7
[M+H-H2O]+ 118.06568 120.3
[M+HCOO]- 180.06662 151.3
[M+CH3COO]- 194.08227 174.4
[M+Na-2H]- 156.04309 133.8
[M]+ 135.06787 124.7
[M]- 135.06897 124.7
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