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

29
Patents

154.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.5
[M+Na]+ 177.08860 140.9
[M-H]- 153.09210 134.7
[M+NH4]+ 172.13320 155.7
[M+K]+ 193.06254 140.5
[M+H-H2O]+ 137.09664 130.0
[M+HCOO]- 199.09758 155.5
[M+CH3COO]- 213.11323 178.7
[M+Na-2H]- 175.07405 136.4
[M]+ 154.09883 135.7
[M]- 154.09993 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