CID 4200997

1-(4-methylphenyl)-3-buten-1-ol

Structural Information

Molecular Formula
C11H14O
SMILES
CC1=CC=C(C=C1)C(CC=C)O
InChI
InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h3,5-8,11-12H,1,4H2,2H3
InChIKey
RCKGDEZXTBRGHR-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)but-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

162.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 135.2
[M+Na]+ 185.09368 142.4
[M-H]- 161.09718 137.5
[M+NH4]+ 180.13828 155.5
[M+K]+ 201.06762 139.5
[M+H-H2O]+ 145.10172 130.0
[M+HCOO]- 207.10266 157.1
[M+CH3COO]- 221.11831 177.8
[M+Na-2H]- 183.07913 140.0
[M]+ 162.10391 134.5
[M]- 162.10501 134.5
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