CID 12497863

3-bromobutan-2-ol

Structural Information

Molecular Formula
C4H9BrO
SMILES
CC(C(C)Br)O
InChI
InChI=1S/C4H9BrO/c1-3(5)4(2)6/h3-4,6H,1-2H3
InChIKey
JCYSVJNMXBWPHS-UHFFFAOYSA-N
Compound name
3-bromobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

151.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99095 125.9
[M+Na]+ 174.97289 136.5
[M-H]- 150.97639 128.0
[M+NH4]+ 170.01749 149.8
[M+K]+ 190.94683 127.2
[M+H-H2O]+ 134.98093 127.2
[M+HCOO]- 196.98187 144.6
[M+CH3COO]- 210.99752 173.4
[M+Na-2H]- 172.95834 132.0
[M]+ 151.98312 142.9
[M]- 151.98422 142.9
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