CID 139593270

Tert-butyl 2-(3-bromopropoxy)acetate

Structural Information

Molecular Formula
C9H17BrO3
SMILES
CC(C)(C)OC(=O)COCCCBr
InChI
InChI=1S/C9H17BrO3/c1-9(2,3)13-8(11)7-12-6-4-5-10/h4-7H2,1-3H3
InChIKey
MAZAVNNNAZKOCF-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-bromopropoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

252.03612 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04340 151.5
[M+Na]+ 275.02534 161.5
[M-H]- 251.02884 154.3
[M+NH4]+ 270.06994 172.5
[M+K]+ 290.99928 152.1
[M+H-H2O]+ 235.03338 151.9
[M+HCOO]- 297.03432 170.2
[M+CH3COO]- 311.04997 191.0
[M+Na-2H]- 273.01079 157.4
[M]+ 252.03557 174.3
[M]- 252.03667 174.3
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