CID 819870

7372-59-0

Structural Information

Molecular Formula
C8H9NO
SMILES
C/[N+](=C/C1=CC=CC=C1)/[O-]
InChI
InChI=1S/C8H9NO/c1-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKey
AKVBBQCAQAJLKM-CLFYSBASSA-N
Compound name
N-methyl-1-phenylmethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

135.06842 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 126.1
[M+Na]+ 158.057638 133.1
[M-H]- 134.061144 129.9
[M+NH4]+ 153.102243 147.2
[M+K]+ 174.031578 127.4
[M+H-H2O]+ 118.065680 125.4
[M+HCOO]- 180.066621 152.1
[M+CH3COO]- 194.082271 167.2
[M+Na-2H]- 156.043086 135.4
[M]+ 135.06787142 123.3
[M]- 135.06896858 123.3
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