CID 207507

Carvacryl 2-propylvalerate

Structural Information

Molecular Formula
C18H28O2
SMILES
CCCC(CCC)C(=O)OC1=C(C=CC(=C1)C(C)C)C
InChI
InChI=1S/C18H28O2/c1-6-8-15(9-7-2)18(19)20-17-12-16(13(3)4)11-10-14(17)5/h10-13,15H,6-9H2,1-5H3
InChIKey
IUDMBDWVRIJRDE-UHFFFAOYSA-N
Compound name
(2-methyl-5-propan-2-ylphenyl) 2-propylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 169.7
[M+Na]+ 299.19814 174.8
[M-H]- 275.20164 172.7
[M+NH4]+ 294.24274 186.3
[M+K]+ 315.17208 172.6
[M+H-H2O]+ 259.20618 163.1
[M+HCOO]- 321.20712 189.0
[M+CH3COO]- 335.22277 205.8
[M+Na-2H]- 297.18359 168.1
[M]+ 276.20837 174.0
[M]- 276.20947 174.0
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.