CID 13033

4-phenyl-1-butene

Structural Information

Molecular Formula
C10H12
SMILES
C=CCCC1=CC=CC=C1
InChI
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
InChIKey
PBGVMIDTGGTBFS-UHFFFAOYSA-N
Compound name
but-3-enylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

16706
Patents

132.0939 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10118 126.6
[M+Na]+ 155.08312 133.9
[M-H]- 131.08662 130.1
[M+NH4]+ 150.12772 148.6
[M+K]+ 171.05706 131.4
[M+H-H2O]+ 115.09116 121.3
[M+HCOO]- 177.09210 151.1
[M+CH3COO]- 191.10775 173.7
[M+Na-2H]- 153.06857 134.6
[M]+ 132.09335 126.2
[M]- 132.09445 126.2
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