CID 6437425

2-methylallyl 2-methylisocrotonate

Structural Information

Molecular Formula
C9H14O2
SMILES
C/C=C(/C)\C(=O)OCC(=C)C
InChI
InChI=1S/C9H14O2/c1-5-8(4)9(10)11-6-7(2)3/h5H,2,6H2,1,3-4H3/b8-5-
InChIKey
PNRCWIZNCBKLMH-YVMONPNESA-N
Compound name
2-methylprop-2-enyl (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

154.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 134.5
[M+Na]+ 177.088598 140.9
[M-H]- 153.092104 134.7
[M+NH4]+ 172.133203 155.7
[M+K]+ 193.062538 140.5
[M+H-H2O]+ 137.096640 130.0
[M+HCOO]- 199.097581 155.5
[M+CH3COO]- 213.113231 178.7
[M+Na-2H]- 175.074046 136.4
[M]+ 154.09883142 135.7
[M]- 154.09992858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe