CID 108700

9-bromo-1-nonanol

Structural Information

Molecular Formula
C9H19BrO
SMILES
C(CCCCO)CCCCBr
InChI
InChI=1S/C9H19BrO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2
InChIKey
USJDOLXCPFASNV-UHFFFAOYSA-N
Compound name
9-bromononan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1207
Patents

222.06194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06922 147.4
[M+Na]+ 245.05116 156.5
[M-H]- 221.05466 148.5
[M+NH4]+ 240.09576 168.8
[M+K]+ 261.02510 145.2
[M+H-H2O]+ 205.05920 147.7
[M+HCOO]- 267.06014 166.5
[M+CH3COO]- 281.07579 186.0
[M+Na-2H]- 243.03661 153.3
[M]+ 222.06139 167.5
[M]- 222.06249 167.5
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

No patent data available for this compound.