CID 246849

2-bromo-1,1,3-triethoxypropane

Structural Information

Molecular Formula
C9H19BrO3
SMILES
CCOCC(C(OCC)OCC)Br
InChI
InChI=1S/C9H19BrO3/c1-4-11-7-8(10)9(12-5-2)13-6-3/h8-9H,4-7H2,1-3H3
InChIKey
NHUHYFRSGSQZIQ-UHFFFAOYSA-N
Compound name
2-bromo-1,1,3-triethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.05176 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05904 153.1
[M+Na]+ 277.04098 162.0
[M-H]- 253.04448 155.5
[M+NH4]+ 272.08558 173.8
[M+K]+ 293.01492 153.2
[M+H-H2O]+ 237.04902 152.8
[M+HCOO]- 299.04996 172.1
[M+CH3COO]- 313.06561 193.6
[M+Na-2H]- 275.02643 157.0
[M]+ 254.05121 176.5
[M]- 254.05231 176.5
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