CID 103961525

5-(bromomethyl)-1,1,3,3-tetramethylcyclohexane

Structural Information

Molecular Formula
C11H21Br
SMILES
CC1(CC(CC(C1)(C)C)CBr)C
InChI
InChI=1S/C11H21Br/c1-10(2)5-9(7-12)6-11(3,4)8-10/h9H,5-8H2,1-4H3
InChIKey
AWGGPSYYOFKUJO-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1,1,3,3-tetramethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.08266 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08994 144.0
[M+Na]+ 255.07188 154.5
[M-H]- 231.07538 150.3
[M+NH4]+ 250.11648 169.8
[M+K]+ 271.04582 144.3
[M+H-H2O]+ 215.07992 146.5
[M+HCOO]- 277.08086 161.4
[M+CH3COO]- 291.09651 190.2
[M+Na-2H]- 253.05733 150.4
[M]+ 232.08211 160.7
[M]- 232.08321 160.7
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.