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

67
Patents

151.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.990946 125.9
[M+Na]+ 174.972888 136.5
[M-H]- 150.976394 128.0
[M+NH4]+ 170.017493 149.8
[M+K]+ 190.946828 127.2
[M+H-H2O]+ 134.980930 127.2
[M+HCOO]- 196.981871 144.6
[M+CH3COO]- 210.997521 173.4
[M+Na-2H]- 172.958336 132.0
[M]+ 151.98312142 142.9
[M]- 151.98421858 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