CID 165650875

Rac-(1r,2s)-1-(bromomethyl)-2-methylcyclobutane,cis

Structural Information

Molecular Formula
C6H11Br
SMILES
C[C@@H]1CC[C@@H]1CBr
InChI
InChI=1S/C6H11Br/c1-5-2-3-6(5)4-7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKey
MBCOMXKBMWRVQB-PHDIDXHHSA-N
Compound name
(1S,2R)-1-(bromomethyl)-2-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 118.9
[M+Na]+ 184.99363 129.1
[M-H]- 160.99713 125.3
[M+NH4]+ 180.03823 137.5
[M+K]+ 200.96757 122.5
[M+H-H2O]+ 145.00167 115.8
[M+HCOO]- 207.00261 139.0
[M+CH3COO]- 221.01826 180.8
[M+Na-2H]- 182.97908 127.0
[M]+ 162.00386 143.8
[M]- 162.00496 143.8
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

No patent data available for this compound.