CID 3015865

Schembl3507584

Structural Information

Molecular Formula
C12H20O2
SMILES
CC1=CCC(C1(C)C)C(C)OC(=O)C
InChI
InChI=1S/C12H20O2/c1-8-6-7-11(12(8,4)5)9(2)14-10(3)13/h6,9,11H,7H2,1-5H3
InChIKey
FYGXDINYRBSPIK-UHFFFAOYSA-N
Compound name
1-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.14633 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 144.3
[M+Na]+ 219.135548 152.0
[M-H]- 195.139054 148.3
[M+NH4]+ 214.180153 168.1
[M+K]+ 235.109488 151.3
[M+H-H2O]+ 179.143590 140.5
[M+HCOO]- 241.144531 165.9
[M+CH3COO]- 255.160181 186.9
[M+Na-2H]- 217.120996 145.4
[M]+ 196.14578142 146.6
[M]- 196.14687858 146.6
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