CID 12571355

1-phenylpent-4-yn-1-ol

Structural Information

Molecular Formula
C11H12O
SMILES
C#CCCC(C1=CC=CC=C1)O
InChI
InChI=1S/C11H12O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8,11-12H,3,9H2
InChIKey
KLCFSSYQMSYTTN-UHFFFAOYSA-N
Compound name
1-phenylpent-4-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

160.08882 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 137.4
[M+Na]+ 183.07804 146.3
[M-H]- 159.08154 138.1
[M+NH4]+ 178.12264 155.2
[M+K]+ 199.05198 141.8
[M+H-H2O]+ 143.08608 126.0
[M+HCOO]- 205.08702 153.6
[M+CH3COO]- 219.10267 184.6
[M+Na-2H]- 181.06349 141.8
[M]+ 160.08827 131.0
[M]- 160.08937 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe