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
1
Annotation Hits

1
References

101
Patents

150.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.9
[M+Na]+ 173.09368 139.0
[M-H]- 149.09718 135.1
[M+NH4]+ 168.13828 153.4
[M+K]+ 189.06762 137.4
[M+H-H2O]+ 133.10172 127.6
[M+HCOO]- 195.10266 153.9
[M+CH3COO]- 209.11831 175.5
[M+Na-2H]- 171.07913 137.7
[M]+ 150.10391 131.5
[M]- 150.10501 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