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

138
Patents

151.98367 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99095 125.2
[M+Na]+ 174.97289 126.8
[M+NH4]+ 170.01749 130.0
[M+K]+ 190.94683 128.1
[M-H]- 150.97639 123.2
[M+Na-2H]- 172.95834 126.8
[M]+ 151.98312 123.6
[M]- 151.98422 123.6
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