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

1432
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

literature stripe

Patent stripe

patents stripe