CID 45098536

60775-79-3

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC2C(C1)C2CBr
InChI
InChI=1S/C7H11Br/c8-4-7-5-2-1-3-6(5)7/h5-7H,1-4H2
InChIKey
KNQMXYPZTYQAHD-UHFFFAOYSA-N
Compound name
6-(bromomethyl)bicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 134.8
[M+Na]+ 196.99363 148.5
[M-H]- 172.99713 142.8
[M+NH4]+ 192.03823 156.9
[M+K]+ 212.96757 137.5
[M+H-H2O]+ 157.00167 135.5
[M+HCOO]- 219.00261 155.3
[M+CH3COO]- 233.01826 181.8
[M+Na-2H]- 194.97908 141.8
[M]+ 174.00386 153.5
[M]- 174.00496 153.5
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.