CID 108480

2-methylbutyl methacrylate

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC(C)COC(=O)C(=C)C
InChI
InChI=1S/C9H16O2/c1-5-8(4)6-11-9(10)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKey
SESQOVINGFJWQN-UHFFFAOYSA-N
Compound name
2-methylbutyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

156.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 136.1
[M+Na]+ 179.104258 142.2
[M-H]- 155.107764 136.3
[M+NH4]+ 174.148863 157.2
[M+K]+ 195.078198 142.3
[M+H-H2O]+ 139.112300 131.5
[M+HCOO]- 201.113241 156.9
[M+CH3COO]- 215.128891 180.3
[M+Na-2H]- 177.089706 138.0
[M]+ 156.11449142 138.1
[M]- 156.11558858 138.1
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