CID 201277

5766-74-5

Structural Information

Molecular Formula
C8H9NO
SMILES
CN=CC1=CC=C(C=C1)O
InChI
InChI=1S/C8H9NO/c1-9-6-7-2-4-8(10)5-3-7/h2-6,10H,1H3
InChIKey
FWUVYASGCVKPPY-UHFFFAOYSA-N
Compound name
4-(methyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

135.06842 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 124.9
[M+Na]+ 158.057638 133.2
[M-H]- 134.061144 129.1
[M+NH4]+ 153.102243 146.8
[M+K]+ 174.031578 131.5
[M+H-H2O]+ 118.065680 119.4
[M+HCOO]- 180.066621 151.3
[M+CH3COO]- 194.082271 174.6
[M+Na-2H]- 156.043086 133.4
[M]+ 135.06787142 124.8
[M]- 135.06896858 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

No literature data available for this compound.

Patent stripe

patents stripe