CID 14597914

4-(prop-1-en-2-yl)benzaldehyde

Structural Information

Molecular Formula
C10H10O
SMILES
CC(=C)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H10O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-7H,1H2,2H3
InChIKey
IRWAASJGTLXGMV-UHFFFAOYSA-N
Compound name
4-prop-1-en-2-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

31
Patents

146.07317 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.080446 128.0
[M+Na]+ 169.062388 136.3
[M-H]- 145.065894 132.0
[M+NH4]+ 164.106993 149.6
[M+K]+ 185.036328 134.1
[M+H-H2O]+ 129.070430 122.9
[M+HCOO]- 191.071371 152.0
[M+CH3COO]- 205.087021 176.6
[M+Na-2H]- 167.047836 134.0
[M]+ 146.07262142 128.1
[M]- 146.07371858 128.1
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