CID 16205756

Dimethylbenzyl carbinyl crotonate

Structural Information

Molecular Formula
C14H18O2
SMILES
C/C=C/C(=O)OC(C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C14H18O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h4-10H,11H2,1-3H3/b8-4+
InChIKey
OKLPIYCKVVLHCP-XBXARRHUSA-N
Compound name
(2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

42
Patents

218.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 151.9
[M+Na]+ 241.11990 163.4
[M+NH4]+ 236.16450 159.3
[M+K]+ 257.09384 157.1
[M-H]- 217.12340 152.8
[M+Na-2H]- 239.10535 157.8
[M]+ 218.13013 153.8
[M]- 218.13123 153.8
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