CID 520149

1-bromo-2-butanol

Structural Information

Molecular Formula
C4H9BrO
SMILES
CCC(CBr)O
InChI
InChI=1S/C4H9BrO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKey
DMRXISNUOWIOKV-UHFFFAOYSA-N
Compound name
1-bromobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1222
Patents

151.98367 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99095 125.3
[M+Na]+ 174.97289 136.1
[M-H]- 150.97639 127.3
[M+NH4]+ 170.01749 149.3
[M+K]+ 190.94683 126.5
[M+H-H2O]+ 134.98093 126.6
[M+HCOO]- 196.98187 145.0
[M+CH3COO]- 210.99752 172.6
[M+Na-2H]- 172.95834 132.6
[M]+ 151.98312 143.0
[M]- 151.98422 143.0
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