CID 407243

Alpha-bis(n-methylsalicylaldiminato)copper

Structural Information

Molecular Formula
C8H9NO
SMILES
CN=CC1=CC=CC=C1O
InChI
InChI=1S/C8H9NO/c1-9-6-7-4-2-3-5-8(7)10/h2-6,10H,1H3
InChIKey
XFDQQADEQRAUEK-UHFFFAOYSA-N
Compound name
2-(methyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

268
Patents

135.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 124.9
[M+Na]+ 158.05764 133.2
[M-H]- 134.06114 129.1
[M+NH4]+ 153.10224 146.8
[M+K]+ 174.03158 131.5
[M+H-H2O]+ 118.06568 119.4
[M+HCOO]- 180.06662 151.3
[M+CH3COO]- 194.08227 174.6
[M+Na-2H]- 156.04309 133.4
[M]+ 135.06787 124.8
[M]- 135.06897 124.8
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