CID 9855523

(1s)-1-(4-ethylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C10H14O
SMILES
CCC1=CC=C(C=C1)[C@H](C)O
InChI
InChI=1S/C10H14O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-8,11H,3H2,1-2H3/t8-/m0/s1
InChIKey
HZFBZEOPUXCNHK-QMMMGPOBSA-N
Compound name
(1S)-1-(4-ethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

150.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 131.9
[M+Na]+ 173.09368 139.2
[M-H]- 149.09718 134.4
[M+NH4]+ 168.13828 152.8
[M+K]+ 189.06762 137.2
[M+H-H2O]+ 133.10172 126.9
[M+HCOO]- 195.10266 154.0
[M+CH3COO]- 209.11831 175.7
[M+Na-2H]- 171.07913 137.3
[M]+ 150.10391 131.6
[M]- 150.10501 131.6
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