CID 23508657

2-(2-hydroxypropan-2-yl)benzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(C)(C1=CC=CC=C1C=O)O
InChI
InChI=1S/C10H12O2/c1-10(2,12)9-6-4-3-5-8(9)7-11/h3-7,12H,1-2H3
InChIKey
AUGGROQJQWTINF-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

553
Patents

164.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.5
[M+Na]+ 187.07294 141.8
[M-H]- 163.07644 136.3
[M+NH4]+ 182.11754 153.9
[M+K]+ 203.04688 139.6
[M+H-H2O]+ 147.08098 128.8
[M+HCOO]- 209.08192 155.4
[M+CH3COO]- 223.09757 176.3
[M+Na-2H]- 185.05839 140.8
[M]+ 164.08317 134.1
[M]- 164.08427 134.1
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

patents stripe