CID 3023824

2-methyldodecyl methacrylate

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCCCCCCCCC(C)COC(=O)C(=C)C
InChI
InChI=1S/C17H32O2/c1-5-6-7-8-9-10-11-12-13-16(4)14-19-17(18)15(2)3/h16H,2,5-14H2,1,3-4H3
InChIKey
DIUOAZFIHVLGKZ-UHFFFAOYSA-N
Compound name
2-methyldodecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

323
Patents

268.24023 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.247506 173.7
[M+Na]+ 291.229448 176.4
[M-H]- 267.232954 172.3
[M+NH4]+ 286.274053 190.2
[M+K]+ 307.203388 174.4
[M+H-H2O]+ 251.237490 167.5
[M+HCOO]- 313.238431 191.8
[M+CH3COO]- 327.254081 204.2
[M+Na-2H]- 289.214896 171.2
[M]+ 268.23968142 178.7
[M]- 268.24077858 178.7
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