CID 562145

3-phenylbutan-2-ol

Structural Information

Molecular Formula
C10H14O
SMILES
CC(C1=CC=CC=C1)C(C)O
InChI
InChI=1S/C10H14O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChIKey
KDNYCTPSPZHJQF-UHFFFAOYSA-N
Compound name
3-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

449
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 132.9
[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