CID 16205381

83783-83-9

Structural Information

Molecular Formula
C10H16O2
SMILES
C/C=C(/C)\C(=O)OCCC(=C)C
InChI
InChI=1S/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5H,2,6-7H2,1,3-4H3/b9-5-
InChIKey
LMPCYQLIAVCCCL-UITAMQMPSA-N
Compound name
3-methylbut-3-enyl (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 139.2
[M+Na]+ 191.104258 145.3
[M-H]- 167.107764 139.3
[M+NH4]+ 186.148863 159.8
[M+K]+ 207.078198 144.5
[M+H-H2O]+ 151.112300 134.6
[M+HCOO]- 213.113241 159.9
[M+CH3COO]- 227.128891 181.7
[M+Na-2H]- 189.089706 140.6
[M]+ 168.11449142 140.8
[M]- 168.11558858 140.8
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