CID 14543

4-(3-methylbut-2-enyl)phenol

Structural Information

Molecular Formula
C11H14O
SMILES
CC(=CCC1=CC=C(C=C1)O)C
InChI
InChI=1S/C11H14O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h3,5-8,12H,4H2,1-2H3
InChIKey
CBUZIDRVPSPPOE-UHFFFAOYSA-N
Compound name
4-(3-methylbut-2-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

105
Patents

162.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 135.4
[M+Na]+ 185.09368 142.7
[M-H]- 161.09718 137.8
[M+NH4]+ 180.13828 155.8
[M+K]+ 201.06762 139.8
[M+H-H2O]+ 145.10172 130.2
[M+HCOO]- 207.10266 157.3
[M+CH3COO]- 221.11831 177.2
[M+Na-2H]- 183.07913 140.2
[M]+ 162.10391 134.6
[M]- 162.10501 134.6
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