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

15
Patents

252.03612 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.043396 151.5
[M+Na]+ 275.025338 161.5
[M-H]- 251.028844 154.3
[M+NH4]+ 270.069943 172.5
[M+K]+ 290.999278 152.1
[M+H-H2O]+ 235.033380 151.9
[M+HCOO]- 297.034321 170.2
[M+CH3COO]- 311.049971 191.0
[M+Na-2H]- 273.010786 157.4
[M]+ 252.03557142 174.3
[M]- 252.03666858 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