CID 10935238

1-bromo-10-(tert-butoxy)decane

Structural Information

Molecular Formula

C₁₄H₂₉BrO

SMILES

CC(C)(C)OCCCCCCCCCCBr

InChI

InChI=1S/C14H29BrO/c1-14(2,3)16-13-11-9-7-5-4-6-8-10-12-15/h4-13H2,1-3H3

InChIKey

QVHWZTMGKJDPGL-UHFFFAOYSA-N

Compound name

1-bromo-10-[(2-methylpropan-2-yl)oxy]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.14017 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.14745	170.7
[M+Na]+	315.12939	178.8
[M-H]-	291.13289	172.6
[M+NH4]+	310.17399	190.4
[M+K]+	331.10333	167.5
[M+H-H2O]+	275.13743	170.5
[M+HCOO]-	337.13837	188.2
[M+CH3COO]-	351.15402	202.3
[M+Na-2H]-	313.11484	175.0
[M]+	292.13962	193.9
[M]-	292.14072	193.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe