CID 5023210

2-methyl-1-phenylbut-3-yn-2-ol

Structural Information

Molecular Formula
C11H12O
SMILES
CC(CC1=CC=CC=C1)(C#C)O
InChI
InChI=1S/C11H12O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h1,4-8,12H,9H2,2H3
InChIKey
MAIHLXPPVKYYMW-UHFFFAOYSA-N
Compound name
2-methyl-1-phenylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

160.08882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 139.7
[M+Na]+ 183.07804 149.2
[M-H]- 159.08154 140.7
[M+NH4]+ 178.12264 157.7
[M+K]+ 199.05198 144.8
[M+H-H2O]+ 143.08608 128.8
[M+HCOO]- 205.08702 155.3
[M+CH3COO]- 219.10267 184.2
[M+Na-2H]- 181.06349 145.6
[M]+ 160.08827 133.5
[M]- 160.08937 133.5
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