CID 10419520

4-(2-hydroxypropan-2-yl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
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

literature stripe

Patent stripe

patents stripe