CID 10261375

Benzaldehyde, 2-(3-butenyl)-

Structural Information

Molecular Formula
C11H12O
SMILES
C=CCCC1=CC=CC=C1C=O
InChI
InChI=1S/C11H12O/c1-2-3-6-10-7-4-5-8-11(10)9-12/h2,4-5,7-9H,1,3,6H2
InChIKey
GOVAFMLHEIZNFQ-UHFFFAOYSA-N
Compound name
2-but-3-enylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

160.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 132.6
[M+Na]+ 183.07804 140.8
[M-H]- 159.08154 136.3
[M+NH4]+ 178.12264 153.7
[M+K]+ 199.05198 137.8
[M+H-H2O]+ 143.08608 127.1
[M+HCOO]- 205.08702 157.2
[M+CH3COO]- 219.10267 178.8
[M+Na-2H]- 181.06349 139.3
[M]+ 160.08827 133.7
[M]- 160.08937 133.7
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