CID 28063275

4-(4-hydroxybut-1-yn-1-yl)benzaldehyde

Structural Information

Molecular Formula
C11H10O2
SMILES
C1=CC(=CC=C1C=O)C#CCCO
InChI
InChI=1S/C11H10O2/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h4-7,9,12H,2,8H2
InChIKey
JNMGWHGSRGUHJY-UHFFFAOYSA-N
Compound name
4-(4-hydroxybut-1-ynyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

174.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 137.8
[M+Na]+ 197.05730 150.2
[M+NH4]+ 192.10190 142.3
[M+K]+ 213.03124 140.4
[M-H]- 173.06080 131.3
[M+Na-2H]- 195.04275 141.2
[M]+ 174.06753 136.8
[M]- 174.06863 136.8
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