CID 6436992

65416-16-2

Structural Information

Molecular Formula
C10H18O2
SMILES
C/C=C(\C)/CCOC(=O)C(C)C
InChI
InChI=1S/C10H18O2/c1-5-9(4)6-7-12-10(11)8(2)3/h5,8H,6-7H2,1-4H3/b9-5+
InChIKey
VPIXOJWXVMGOMY-WEVVVXLNSA-N
Compound name
[(E)-3-methylpent-3-enyl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 141.0
[M+Na]+ 193.11990 146.8
[M-H]- 169.12340 141.1
[M+NH4]+ 188.16450 161.7
[M+K]+ 209.09384 146.7
[M+H-H2O]+ 153.12794 136.3
[M+HCOO]- 215.12888 161.6
[M+CH3COO]- 229.14453 182.6
[M+Na-2H]- 191.10535 142.4
[M]+ 170.13013 143.3
[M]- 170.13123 143.3
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

No patent data available for this compound.