CID 102041342

3-[(1r)-1-hydroxyethyl]benzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
C[C@H](C1=CC=CC(=C1)C=O)O
InChI
InChI=1S/C9H10O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-7,11H,1H3/t7-/m1/s1
InChIKey
CFIXBVCCQDUDPW-SSDOTTSWSA-N
Compound name
3-[(1R)-1-hydroxyethyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 130.1
[M+Na]+ 173.05730 142.7
[M+NH4]+ 168.10190 138.5
[M+K]+ 189.03124 136.9
[M-H]- 149.06080 131.6
[M+Na-2H]- 171.04275 136.8
[M]+ 150.06753 132.2
[M]- 150.06863 132.2
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

No patent data available for this compound.