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
trans-(1S,2R)-2-bromocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

patents stripe