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

18
Patents

135.06842 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe