CID 95640

2-methyl-3-phenylpropanol

Structural Information

Molecular Formula
C10H14O
SMILES
CC(CC1=CC=CC=C1)CO
InChI
InChI=1S/C10H14O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKey
LTZKHYYXQWNXPU-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1029
Patents

150.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.7
[M+Na]+ 173.09368 139.1
[M-H]- 149.09718 134.8
[M+NH4]+ 168.13828 153.3
[M+K]+ 189.06762 137.0
[M+H-H2O]+ 133.10172 127.4
[M+HCOO]- 195.10266 154.8
[M+CH3COO]- 209.11831 174.6
[M+Na-2H]- 171.07913 138.8
[M]+ 150.10391 131.9
[M]- 150.10501 131.9
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