CID 5462893

2-buten-1-ol, 3-phenyl-

Structural Information

Molecular Formula
C10H12O
SMILES
C/C(=C\CO)/C1=CC=CC=C1
InChI
InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+
InChIKey
GASLYRXUZSPLGV-VQHVLOKHSA-N
Compound name
(E)-3-phenylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

148.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 131.6
[M+Na]+ 171.07804 138.3
[M-H]- 147.08154 133.7
[M+NH4]+ 166.12264 152.2
[M+K]+ 187.05198 135.6
[M+H-H2O]+ 131.08608 126.3
[M+HCOO]- 193.08702 153.8
[M+CH3COO]- 207.10267 173.0
[M+Na-2H]- 169.06349 137.6
[M]+ 148.08827 130.0
[M]- 148.08937 130.0
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