CID 16116489

Pseudoisoeugenol

Structural Information

Molecular Formula
C10H12O2
SMILES
C/C=C/C1=C(C=CC(=C1)OC)O
InChI
InChI=1S/C10H12O2/c1-3-4-8-7-9(12-2)5-6-10(8)11/h3-7,11H,1-2H3/b4-3+
InChIKey
CNTCZYAGRDSWBW-ONEGZZNKSA-N
Compound name
4-methoxy-2-[(E)-prop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

24
Patents

164.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 133.1
[M+Na]+ 187.072938 141.9
[M-H]- 163.076444 135.9
[M+NH4]+ 182.117543 153.7
[M+K]+ 203.046878 139.4
[M+H-H2O]+ 147.080980 128.0
[M+HCOO]- 209.081921 156.6
[M+CH3COO]- 223.097571 176.4
[M+Na-2H]- 185.058386 139.0
[M]+ 164.08317142 134.4
[M]- 164.08426858 134.4
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