CID 14726789

3-bromobutan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

151.98367 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe