CID 10934002

Rescalure [iso]

Structural Information

Molecular Formula
C16H28O2
SMILES
C[C@@H](CCC(CCC=C)C(=C)C)CCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-6-7-8-16(13(2)3)10-9-14(4)11-12-18-15(5)17/h6,14,16H,1-2,7-12H2,3-5H3/t14-,16?/m0/s1
InChIKey
UJJKWQRTTYLTQL-LBAUFKAWSA-N
Compound name
[(3S)-3-methyl-6-prop-1-en-2-yldec-9-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1073
Patents

252.20892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.21620 167.0
[M+Na]+ 275.19814 170.3
[M-H]- 251.20164 166.0
[M+NH4]+ 270.24274 184.1
[M+K]+ 291.17208 168.4
[M+H-H2O]+ 235.20618 161.3
[M+HCOO]- 297.20712 184.7
[M+CH3COO]- 311.22277 201.2
[M+Na-2H]- 273.18359 163.9
[M]+ 252.20837 170.3
[M]- 252.20947 170.3
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