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]+ 205.05864 135.4
[M+Na]+ 227.04058 142.0
[M-H]- 203.04408 141.7
[M+NH4]+ 222.08518 158.0
[M+K]+ 243.01452 135.7
[M+H-H2O]+ 187.04862 137.0
[M+HCOO]- 249.04956 152.7
[M+CH3COO]- 263.06521 184.8
[M+Na-2H]- 225.02603 142.3
[M]+ 204.05081 146.3
[M]- 204.05191 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.