CID 53373894

1-(bromomethyl)-1-ethylcyclopropane

Structural Information

Molecular Formula
C6H11Br
SMILES
CCC1(CC1)CBr
InChI
InChI=1S/C6H11Br/c1-2-6(5-7)3-4-6/h2-5H2,1H3
InChIKey
VQMZCXVZFIFDNO-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-ethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

162.00441 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 128.3
[M+Na]+ 184.99363 141.7
[M-H]- 160.99713 136.0
[M+NH4]+ 180.03823 150.0
[M+K]+ 200.96757 132.1
[M+H-H2O]+ 145.00167 129.6
[M+HCOO]- 207.00261 149.9
[M+CH3COO]- 221.01826 179.9
[M+Na-2H]- 182.97908 138.0
[M]+ 162.00386 148.8
[M]- 162.00496 148.8
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