CID 538853

2-phenylbut-3-en-2-ol

Structural Information

Molecular Formula
C10H12O
SMILES
CC(C=C)(C1=CC=CC=C1)O
InChI
InChI=1S/C10H12O/c1-3-10(2,11)9-7-5-4-6-8-9/h3-8,11H,1H2,2H3
InChIKey
LRYWJUOPPCVNFT-UHFFFAOYSA-N
Compound name
2-phenylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

148.08882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 130.9
[M+Na]+ 171.07804 138.3
[M-H]- 147.08154 133.3
[M+NH4]+ 166.12264 151.7
[M+K]+ 187.05198 135.6
[M+H-H2O]+ 131.08608 126.2
[M+HCOO]- 193.08702 152.6
[M+CH3COO]- 207.10267 173.1
[M+Na-2H]- 169.06349 138.8
[M]+ 148.08827 129.6
[M]- 148.08937 129.6
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