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

126
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.