CID 165437893

2-[4-(2-methylpropyl)phenyl]but-3-yn-2-ol

Structural Information

Molecular Formula
C14H18O
SMILES
CC(C)CC1=CC=C(C=C1)C(C)(C#C)O
InChI
InChI=1S/C14H18O/c1-5-14(4,15)13-8-6-12(7-9-13)10-11(2)3/h1,6-9,11,15H,10H2,2-4H3
InChIKey
XBRTYPRJBAJKTB-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpropyl)phenyl]but-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 151.5
[M+Na]+ 225.12499 160.3
[M-H]- 201.12849 152.5
[M+NH4]+ 220.16959 168.2
[M+K]+ 241.09893 155.9
[M+H-H2O]+ 185.13303 140.4
[M+HCOO]- 247.13397 165.4
[M+CH3COO]- 261.14962 194.1
[M+Na-2H]- 223.11044 154.2
[M]+ 202.13522 146.0
[M]- 202.13632 146.0
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

No patent data available for this compound.