CID 82712

10537-86-7

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)C=O
InChI
InChI=1S/C13H18O2/c1-8(2)11-5-10(7-14)6-12(9(3)4)13(11)15/h5-9,15H,1-4H3
InChIKey
WVGDLTQPAQUBMO-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5-di(propan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

212
Patents

206.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 145.8
[M+Na]+ 229.11990 153.7
[M-H]- 205.12340 148.6
[M+NH4]+ 224.16450 164.8
[M+K]+ 245.09384 151.4
[M+H-H2O]+ 189.12794 140.6
[M+HCOO]- 251.12888 166.2
[M+CH3COO]- 265.14453 189.2
[M+Na-2H]- 227.10535 147.0
[M]+ 206.13013 147.4
[M]- 206.13123 147.4
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