CID 547846

1-bromo-2-methylpropan-2-ol

Structural Information

Molecular Formula
C4H9BrO
SMILES
CC(C)(CBr)O
InChI
InChI=1S/C4H9BrO/c1-4(2,6)3-5/h6H,3H2,1-2H3
InChIKey
OBOTXOMQYNJWJJ-UHFFFAOYSA-N
Compound name
1-bromo-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

151.98367 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.990946 125.4
[M+Na]+ 174.972888 136.9
[M-H]- 150.976394 127.7
[M+NH4]+ 170.017493 149.6
[M+K]+ 190.946828 127.2
[M+H-H2O]+ 134.980930 127.3
[M+HCOO]- 196.981871 144.6
[M+CH3COO]- 210.997521 172.1
[M+Na-2H]- 172.958336 134.5
[M]+ 151.98312142 143.3
[M]- 151.98421858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe