CID 6437020

53082-58-9

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC(C)CCOC(=O)/C(=C\C)/C
InChI
InChI=1S/C11H20O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h6,9H,5,7-8H2,1-4H3/b10-6-
InChIKey
UKYIGGARIIFOAB-POHAHGRESA-N
Compound name
3-methylpentyl (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

55
Patents

184.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.8
[M+Na]+ 207.13555 151.1
[M-H]- 183.13905 145.6
[M+NH4]+ 202.18015 165.9
[M+K]+ 223.10949 150.7
[M+H-H2O]+ 167.14359 140.8
[M+HCOO]- 229.14453 166.0
[M+CH3COO]- 243.16018 185.6
[M+Na-2H]- 205.12100 146.6
[M]+ 184.14578 148.4
[M]- 184.14688 148.4
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