CID 131000310

1-(bromomethyl)-1-methylcycloheptane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC1(CCCCCC1)CBr
InChI
InChI=1S/C9H17Br/c1-9(8-10)6-4-2-3-5-7-9/h2-8H2,1H3
InChIKey
XXSPDBXGWYYCSW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methylcycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 135.4
[M+Na]+ 227.040578 142.0
[M-H]- 203.044084 141.7
[M+NH4]+ 222.085183 158.0
[M+K]+ 243.014518 135.7
[M+H-H2O]+ 187.048620 137.0
[M+HCOO]- 249.049561 152.7
[M+CH3COO]- 263.065211 184.8
[M+Na-2H]- 225.026026 142.3
[M]+ 204.05081142 146.3
[M]- 204.05190858 146.3
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.