CID 203124

Sedenol

Structural Information

Molecular Formula
C8H11BrO
SMILES
C1CCC(CC1)(C#CBr)O
InChI
InChI=1S/C8H11BrO/c9-7-6-8(10)4-2-1-3-5-8/h10H,1-5H2
InChIKey
SNMGSXAAVQCPGL-UHFFFAOYSA-N
Compound name
1-(2-bromoethynyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.99933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.006606 135.0
[M+Na]+ 224.988548 147.2
[M-H]- 200.992054 137.5
[M+NH4]+ 220.033153 156.4
[M+K]+ 240.962488 134.4
[M+H-H2O]+ 184.996590 130.9
[M+HCOO]- 246.997531 149.7
[M+CH3COO]- 261.013181 185.6
[M+Na-2H]- 222.973996 141.8
[M]+ 201.99878142 142.4
[M]- 201.99987858 142.4
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