CID 16206008

94135-72-5

Structural Information

Molecular Formula
C14H24O2
SMILES
CC1CCC(C=C1)C(C)(C)OC(=O)C(C)C
InChI
InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,8,10-12H,7,9H2,1-5H3
InChIKey
URCBVDFQDTZIBF-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-2-en-1-yl)propan-2-yl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 153.9
[M+Na]+ 247.166848 158.4
[M-H]- 223.170354 156.8
[M+NH4]+ 242.211453 172.4
[M+K]+ 263.140788 157.7
[M+H-H2O]+ 207.174890 148.6
[M+HCOO]- 269.175831 171.1
[M+CH3COO]- 283.191481 192.8
[M+Na-2H]- 245.152296 155.3
[M]+ 224.17708142 153.7
[M]- 224.17817858 153.7
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

No patent data available for this compound.