CID 134163220

2-(bromomethyl)-6-methylspiro(3.3)heptane

Structural Information

Molecular Formula
C9H15Br
SMILES
CC1CC2(C1)CC(C2)CBr
InChI
InChI=1S/C9H15Br/c1-7-2-9(3-7)4-8(5-9)6-10/h7-8H,2-6H2,1H3
InChIKey
YMIWJPQXJKXZOQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-6-methylspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 118.1
[M+Na]+ 225.024918 126.8
[M-H]- 201.028424 126.2
[M+NH4]+ 220.069523 130.7
[M+K]+ 240.998858 122.7
[M+H-H2O]+ 185.032960 112.5
[M+HCOO]- 247.033901 135.2
[M+CH3COO]- 261.049551 195.8
[M+Na-2H]- 223.010366 126.4
[M]+ 202.03515142 148.4
[M]- 202.03624858 148.4
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.