CID 204702

Wv 0057

Structural Information

Molecular Formula
C16H26BrNO2
SMILES
CCN(CCOC1=C(C=C(C(=C1)C)O)C(C)C)CCBr
InChI
InChI=1S/C16H26BrNO2/c1-5-18(7-6-17)8-9-20-16-10-13(4)15(19)11-14(16)12(2)3/h10-12,19H,5-9H2,1-4H3
InChIKey
HYQHJYIUHUNNSX-UHFFFAOYSA-N
Compound name
4-[2-[2-bromoethyl(ethyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1147 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12198 176.8
[M+Na]+ 366.10392 185.3
[M-H]- 342.10742 182.3
[M+NH4]+ 361.14852 194.1
[M+K]+ 382.07786 174.2
[M+H-H2O]+ 326.11196 174.8
[M+HCOO]- 388.11290 195.6
[M+CH3COO]- 402.12855 214.7
[M+Na-2H]- 364.08937 177.7
[M]+ 343.11415 199.1
[M]- 343.11525 199.1
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

No patent data available for this compound.