CID 22015114

934001-46-4

Structural Information

Molecular Formula
C16H31BrO2
SMILES
CCCCCCCCCCCCOC(=O)C(C)(C)Br
InChI
InChI=1S/C16H31BrO2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(18)16(2,3)17/h4-14H2,1-3H3
InChIKey
TUPZPNIRCIQNLF-UHFFFAOYSA-N
Compound name
dodecyl 2-bromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

334.15073 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15801 181.1
[M+Na]+ 357.13995 188.4
[M-H]- 333.14345 182.7
[M+NH4]+ 352.18455 199.0
[M+K]+ 373.11389 176.8
[M+H-H2O]+ 317.14799 180.4
[M+HCOO]- 379.14893 197.4
[M+CH3COO]- 393.16458 209.4
[M+Na-2H]- 355.12540 183.2
[M]+ 334.15018 205.1
[M]- 334.15128 205.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe