CID 15283

2-phenylbutan-2-ol

Structural Information

Molecular Formula
C10H14O
SMILES
CCC(C)(C1=CC=CC=C1)O
InChI
InChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3
InChIKey
XGLHYBVJPSZXIF-UHFFFAOYSA-N
Compound name
2-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2980
Patents

150.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 132.3
[M+Na]+ 173.093678 139.4
[M-H]- 149.097184 134.6
[M+NH4]+ 168.138283 153.1
[M+K]+ 189.067618 137.3
[M+H-H2O]+ 133.101720 127.5
[M+HCOO]- 195.102661 153.8
[M+CH3COO]- 209.118311 174.1
[M+Na-2H]- 171.079126 140.2
[M]+ 150.10391142 131.7
[M]- 150.10500858 131.7
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