CID 5325937

(1s)-2-methyl-1-phenylpropan-1-ol

Structural Information

Molecular Formula
C10H14O
SMILES
CC(C)[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C10H14O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-/m0/s1
InChIKey
GMDYDZMQHRTHJA-JTQLQIEISA-N
Compound name
(1S)-2-methyl-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2142
Patents

150.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 132.9
[M+Na]+ 173.093678 139.0
[M-H]- 149.097184 135.1
[M+NH4]+ 168.138283 153.4
[M+K]+ 189.067618 137.4
[M+H-H2O]+ 133.101720 127.6
[M+HCOO]- 195.102661 153.9
[M+CH3COO]- 209.118311 175.5
[M+Na-2H]- 171.079126 137.7
[M]+ 150.10391142 131.5
[M]- 150.10500858 131.5
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