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]+ 151.075356 129.1
[M+Na]+ 173.057298 137.1
[M-H]- 149.060804 131.8
[M+NH4]+ 168.101903 149.9
[M+K]+ 189.031238 135.3
[M+H-H2O]+ 133.065340 124.1
[M+HCOO]- 195.066281 151.9
[M+CH3COO]- 209.081931 173.8
[M+Na-2H]- 171.042746 135.0
[M]+ 150.06753142 129.1
[M]- 150.06862858 129.1
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

No patent data available for this compound.