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

7
Patents

193.99425 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.001526 133.9
[M+Na]+ 216.983468 143.1
[M-H]- 192.986974 139.0
[M+NH4]+ 212.028073 156.6
[M+K]+ 232.957408 134.7
[M+H-H2O]+ 176.991510 135.5
[M+HCOO]- 238.992451 150.8
[M+CH3COO]- 253.008101 175.3
[M+Na-2H]- 214.968916 143.1
[M]+ 193.99370142 149.3
[M]- 193.99479858 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