CID 132398608

3-cyclopropyl-4-hydroxy-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=CC(=CC(=C1O)C2CC2)C=O
InChI
InChI=1S/C11H12O3/c1-14-10-5-7(6-12)4-9(11(10)13)8-2-3-8/h4-6,8,13H,2-3H2,1H3
InChIKey
DRWSUENSQHLTKI-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-hydroxy-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 137.8
[M+Na]+ 215.067858 148.7
[M-H]- 191.071364 144.9
[M+NH4]+ 210.112463 152.5
[M+K]+ 231.041798 145.2
[M+H-H2O]+ 175.075900 131.8
[M+HCOO]- 237.076841 161.4
[M+CH3COO]- 251.092491 185.2
[M+Na-2H]- 213.053306 143.0
[M]+ 192.07809142 142.5
[M]- 192.07918858 142.5
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

No patent data available for this compound.