CID 28291

Isopropylidene-dbm

Structural Information

Molecular Formula
C9H16Br2O4
SMILES
CC1(C(C1(C(CBr)O)O)(C(CBr)O)O)C
InChI
InChI=1S/C9H16Br2O4/c1-7(2)8(14,5(12)3-10)9(7,15)6(13)4-11/h5-6,12-15H,3-4H2,1-2H3
InChIKey
KEOBBYNROASRIK-UHFFFAOYSA-N
Compound name
1,2-bis(2-bromo-1-hydroxyethyl)-3,3-dimethylcyclopropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.94153 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.94881 152.2
[M+Na]+ 368.93075 163.2
[M-H]- 344.93425 155.8
[M+NH4]+ 363.97535 168.3
[M+K]+ 384.90469 147.6
[M+H-H2O]+ 328.93879 162.8
[M+HCOO]- 390.93973 161.2
[M+CH3COO]- 404.95538 205.7
[M+Na-2H]- 366.91620 157.3
[M]+ 345.94098 187.0
[M]- 345.94208 187.0
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