CID 82281268

2-(4-isopropylphenyl)acrylic acid

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC(C)C1=CC=C(C=C1)C(=C)C(=O)O

InChI

InChI=1S/C12H14O2/c1-8(2)10-4-6-11(7-5-10)9(3)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)

InChIKey

KBDNRDJFVITYCM-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.09938 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.106656	141.5
[M+Na]+	213.088598	148.0
[M-H]-	189.092104	143.8
[M+NH4]+	208.133203	160.4
[M+K]+	229.062538	145.8
[M+H-H2O]+	173.096640	136.1
[M+HCOO]-	235.097581	161.5
[M+CH3COO]-	249.113231	183.8
[M+Na-2H]-	211.074046	143.3
[M]+	190.09883142	140.6
[M]-	190.09992858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe