CID 12110454

(1s,2s)-1-(bromomethyl)-2-methylcyclopropane

Structural Information

Molecular Formula
C5H9Br
SMILES
C[C@H]1C[C@@H]1CBr
InChI
InChI=1S/C5H9Br/c1-4-2-5(4)3-6/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKey
XOXUXLDFDIJSPF-CRCLSJGQSA-N
Compound name
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

147.98875 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.996026 124.1
[M+Na]+ 170.977968 138.0
[M-H]- 146.981474 131.8
[M+NH4]+ 166.022573 144.7
[M+K]+ 186.951908 127.7
[M+H-H2O]+ 130.986010 124.4
[M+HCOO]- 192.986951 146.2
[M+CH3COO]- 207.002601 178.6
[M+Na-2H]- 168.963416 132.7
[M]+ 147.98820142 144.0
[M]- 147.98929858 144.0
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