CID 118388

4-bromo-1-butanol

Structural Information

Molecular Formula
C4H9BrO
SMILES
C(CCBr)CO
InChI
InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey
SIJLYRDVTMMSIP-UHFFFAOYSA-N
Compound name
4-bromobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3345
Patents

151.98367 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99095 125.4
[M+Na]+ 174.97289 127.2
[M+NH4]+ 170.01749 130.3
[M+K]+ 190.94683 127.4
[M-H]- 150.97639 123.9
[M+Na-2H]- 172.95834 127.0
[M]+ 151.98312 123.9
[M]- 151.98422 123.9
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