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
(1S,2S)-1-(bromomethyl)-2-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

147.98875 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99603 124.1
[M+Na]+ 170.97797 138.0
[M-H]- 146.98147 131.8
[M+NH4]+ 166.02257 144.7
[M+K]+ 186.95191 127.7
[M+H-H2O]+ 130.98601 124.4
[M+HCOO]- 192.98695 146.2
[M+CH3COO]- 207.00260 178.6
[M+Na-2H]- 168.96342 132.7
[M]+ 147.98820 144.0
[M]- 147.98930 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