CID 220119

1-phenylbut-3-en-1-ol

Structural Information

Molecular Formula
C10H12O
SMILES
C=CCC(C1=CC=CC=C1)O
InChI
InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2
InChIKey
RGKVZBXSJFAZRE-UHFFFAOYSA-N
Compound name
1-phenylbut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

511
Patents

148.08882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.096096 131.3
[M+Na]+ 171.078038 138.0
[M-H]- 147.081544 133.5
[M+NH4]+ 166.122643 151.9
[M+K]+ 187.051978 135.3
[M+H-H2O]+ 131.086080 126.1
[M+HCOO]- 193.087021 153.6
[M+CH3COO]- 207.102671 173.7
[M+Na-2H]- 169.063486 137.4
[M]+ 148.08827142 129.8
[M]- 148.08936858 129.8
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