CID 10262464

3-tert-butyl-2-hydroxy-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C12H16O3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C=O)OC
InChI
InChI=1S/C12H16O3/c1-12(2,3)10-6-9(15-4)5-8(7-13)11(10)14/h5-7,14H,1-4H3
InChIKey
BSOBIHUVDDETHG-UHFFFAOYSA-N
Compound name
3-tert-butyl-2-hydroxy-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

208.10994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 144.5
[M+Na]+ 231.09916 153.8
[M-H]- 207.10266 147.7
[M+NH4]+ 226.14376 163.8
[M+K]+ 247.07310 151.9
[M+H-H2O]+ 191.10720 139.7
[M+HCOO]- 253.10814 166.0
[M+CH3COO]- 267.12379 186.2
[M+Na-2H]- 229.08461 149.5
[M]+ 208.10939 148.0
[M]- 208.11049 148.0
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