CID 137838604

464914-67-8

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC1[C@@H]2C[C@H]2CCBr
InChI
InChI=1S/C8H13Br/c9-4-3-7-5-8(7)6-1-2-6/h6-8H,1-5H2/t7-,8+/m1/s1
InChIKey
RBLRGZIBVFJYMW-SFYZADRCSA-N
Compound name
(1S,2S)-1-(2-bromoethyl)-2-cyclopropylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 144.3
[M+Na]+ 211.00929 155.6
[M-H]- 187.01279 153.7
[M+NH4]+ 206.05389 156.7
[M+K]+ 226.98323 146.5
[M+H-H2O]+ 171.01733 143.4
[M+HCOO]- 233.01827 163.1
[M+CH3COO]- 247.03392 194.6
[M+Na-2H]- 208.99474 149.4
[M]+ 188.01952 162.7
[M]- 188.02062 162.7
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

No patent data available for this compound.