CID 11019006

1-phenylbut-3-yn-1-ol

Structural Information

Molecular Formula
C10H10O
SMILES
C#CCC(C1=CC=CC=C1)O
InChI
InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h1,3-5,7-8,10-11H,6H2
InChIKey
WBUZTCYOCCUTDV-UHFFFAOYSA-N
Compound name
1-phenylbut-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

146.07317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 133.3
[M+Na]+ 169.06239 142.6
[M-H]- 145.06589 134.2
[M+NH4]+ 164.10699 151.7
[M+K]+ 185.03633 138.4
[M+H-H2O]+ 129.07043 122.2
[M+HCOO]- 191.07137 149.8
[M+CH3COO]- 205.08702 181.9
[M+Na-2H]- 167.04784 138.3
[M]+ 146.07262 126.7
[M]- 146.07372 126.7
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