CID 5362843

Methyl 4-methyl-2-pentenoate

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)/C=C/C(=O)OC
InChI
InChI=1S/C7H12O2/c1-6(2)4-5-7(8)9-3/h4-6H,1-3H3/b5-4+
InChIKey
YVOAQDZUARKSRL-SNAWJCMRSA-N
Compound name
methyl (E)-4-methylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

128.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 128.0
[M+Na]+ 151.07294 137.9
[M+NH4]+ 146.11754 135.3
[M+K]+ 167.04688 133.2
[M-H]- 127.07644 126.7
[M+Na-2H]- 149.05839 131.0
[M]+ 128.08317 128.7
[M]- 128.08427 128.7
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

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