CID 13625994

4-(bromomethyl)oxan-4-ol

Structural Information

Molecular Formula
C6H11BrO2
SMILES
C1COCCC1(CBr)O
InChI
InChI=1S/C6H11BrO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5H2
InChIKey
AINJBBBJCHXEHA-UHFFFAOYSA-N
Compound name
4-(bromomethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

193.99425 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 133.9
[M+Na]+ 216.98347 143.1
[M-H]- 192.98697 139.0
[M+NH4]+ 212.02807 156.6
[M+K]+ 232.95741 134.7
[M+H-H2O]+ 176.99151 135.5
[M+HCOO]- 238.99245 150.8
[M+CH3COO]- 253.00810 175.3
[M+Na-2H]- 214.96892 143.1
[M]+ 193.99370 149.3
[M]- 193.99480 149.3
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