CID 6537949

Methyl 3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-2-enoate

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=O)OC
InChI
InChI=1S/C13H20O2/c1-10-6-5-9-13(2,3)11(10)7-8-12(14)15-4/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey
RJLVIISLNKAFCY-BQYQJAHWSA-N
Compound name
methyl (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

208.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 146.9
[M+Na]+ 231.135548 153.9
[M-H]- 207.139054 150.5
[M+NH4]+ 226.180153 168.4
[M+K]+ 247.109488 152.2
[M+H-H2O]+ 191.143590 142.3
[M+HCOO]- 253.144531 167.3
[M+CH3COO]- 267.160181 187.8
[M+Na-2H]- 229.120996 149.9
[M]+ 208.14578142 147.3
[M]- 208.14687858 147.3
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