CID 23458669

2-bromo-2-methylpropan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
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 125.4
[M+Na]+ 174.97289 136.9
[M-H]- 150.97639 127.7
[M+NH4]+ 170.01749 149.6
[M+K]+ 190.94683 127.2
[M+H-H2O]+ 134.98093 127.3
[M+HCOO]- 196.98187 144.6
[M+CH3COO]- 210.99752 172.1
[M+Na-2H]- 172.95834 134.5
[M]+ 151.98312 143.3
[M]- 151.98422 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