CID 13355309

60212-40-0

Structural Information

Molecular Formula
C4H5BrO2
SMILES
C1[C@H]([C@@H]1Br)C(=O)O
InChI
InChI=1S/C4H5BrO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3-/m1/s1
InChIKey
VKKVGTCMSVLBCD-PWNYCUMCSA-N
Compound name
(1S,2R)-2-bromocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.9473 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.95458 124.9
[M+Na]+ 186.93652 138.6
[M-H]- 162.94002 131.4
[M+NH4]+ 181.98112 143.9
[M+K]+ 202.91046 127.8
[M+H-H2O]+ 146.94456 125.2
[M+HCOO]- 208.94550 145.4
[M+CH3COO]- 222.96115 176.8
[M+Na-2H]- 184.92197 132.2
[M]+ 163.94675 144.2
[M]- 163.94785 144.2
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

No patent data available for this compound.