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]+ 193.08592 137.8
[M+Na]+ 215.06786 148.7
[M-H]- 191.07136 144.9
[M+NH4]+ 210.11246 152.5
[M+K]+ 231.04180 145.2
[M+H-H2O]+ 175.07590 131.8
[M+HCOO]- 237.07684 161.4
[M+CH3COO]- 251.09249 185.2
[M+Na-2H]- 213.05331 143.0
[M]+ 192.07809 142.5
[M]- 192.07919 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.