CID 15110789

1-bromopentan-3-ol

Structural Information

Molecular Formula
C5H11BrO
SMILES
CCC(CCBr)O
InChI
InChI=1S/C5H11BrO/c1-2-5(7)3-4-6/h5,7H,2-4H2,1H3
InChIKey
MDEOBMBGEXCNTP-UHFFFAOYSA-N
Compound name
1-bromopentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

165.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.00661 128.9
[M+Na]+ 188.98855 130.2
[M+NH4]+ 184.03315 133.6
[M+K]+ 204.96249 131.0
[M-H]- 164.99205 127.1
[M+Na-2H]- 186.97400 130.0
[M]+ 165.99878 127.2
[M]- 165.99988 127.2
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