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

37
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 130.0
[M+Na]+ 188.98855 140.4
[M-H]- 164.99205 131.8
[M+NH4]+ 184.03315 153.4
[M+K]+ 204.96249 130.5
[M+H-H2O]+ 148.99659 131.1
[M+HCOO]- 210.99753 149.3
[M+CH3COO]- 225.01318 175.5
[M+Na-2H]- 186.97400 136.8
[M]+ 165.99878 148.0
[M]- 165.99988 148.0
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