CID 21896075

2,4-diisopropyl methyl cinnamate

Structural Information

Molecular Formula
C16H22O2
SMILES
CC(C)C1=CC(=C(C=C1)/C=C/C(=O)OC)C(C)C
InChI
InChI=1S/C16H22O2/c1-11(2)14-7-6-13(8-9-16(17)18-5)15(10-14)12(3)4/h6-12H,1-5H3/b9-8+
InChIKey
YKWKFUUHPFWRNV-CMDGGOBGSA-N
Compound name
methyl (E)-3-[2,4-di(propan-2-yl)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3448
Patents

246.16199 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16927 158.6
[M+Na]+ 269.15121 165.0
[M-H]- 245.15471 162.1
[M+NH4]+ 264.19581 176.5
[M+K]+ 285.12515 162.7
[M+H-H2O]+ 229.15925 152.6
[M+HCOO]- 291.16019 178.8
[M+CH3COO]- 305.17584 198.3
[M+Na-2H]- 267.13666 158.2
[M]+ 246.16144 161.4
[M]- 246.16254 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe