CID 329750

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

Structural Information

Molecular Formula
C10H10O
SMILES
C=CCC1=CC=CC=C1C=O
InChI
InChI=1S/C10H10O/c1-2-5-9-6-3-4-7-10(9)8-11/h2-4,6-8H,1,5H2
InChIKey
FZTDYEUXQXNEER-UHFFFAOYSA-N
Compound name
2-prop-2-enylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1306
Patents

146.07317 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 127.9
[M+Na]+ 169.06239 136.5
[M-H]- 145.06589 131.8
[M+NH4]+ 164.10699 149.6
[M+K]+ 185.03633 133.8
[M+H-H2O]+ 129.07043 122.6
[M+HCOO]- 191.07137 152.9
[M+CH3COO]- 205.08702 175.8
[M+Na-2H]- 167.04784 135.1
[M]+ 146.07262 128.7
[M]- 146.07372 128.7
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