CID 11052877

(4r)-4-(2-bromoethyl)-2,2-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C7H13BrO2
SMILES
CC1(OC[C@H](O1)CCBr)C
InChI
InChI=1S/C7H13BrO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKey
SCINDQADIBQHKD-ZCFIWIBFSA-N
Compound name
(4R)-4-(2-bromoethyl)-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

208.00989 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.017166 138.7
[M+Na]+ 230.999108 150.0
[M-H]- 207.002614 146.1
[M+NH4]+ 226.043713 162.5
[M+K]+ 246.973048 142.9
[M+H-H2O]+ 191.007150 140.8
[M+HCOO]- 253.008091 157.9
[M+CH3COO]- 267.023741 181.6
[M+Na-2H]- 228.984556 147.1
[M]+ 208.00934142 159.0
[M]- 208.01043858 159.0
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