CID 6501459

2-hydroxy-5-(propan-2-yl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

164.08372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.9
[M+Na]+ 187.07294 141.4
[M-H]- 163.07644 135.8
[M+NH4]+ 182.11754 153.4
[M+K]+ 203.04688 139.4
[M+H-H2O]+ 147.08098 127.9
[M+HCOO]- 209.08192 155.4
[M+CH3COO]- 223.09757 178.0
[M+Na-2H]- 185.05839 137.6
[M]+ 164.08317 133.7
[M]- 164.08427 133.7
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