CID 154575243

2-(bromomethyl)-2-methylspiro[3.3]heptane

Structural Information

Molecular Formula
C9H15Br
SMILES
CC1(CC2(C1)CCC2)CBr
InChI
InChI=1S/C9H15Br/c1-8(7-10)5-9(6-8)3-2-4-9/h2-7H2,1H3
InChIKey
UOGIDEDZZYFIKD-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-methylspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 119.8
[M+Na]+ 225.024918 128.5
[M-H]- 201.028424 128.1
[M+NH4]+ 220.069523 133.8
[M+K]+ 240.998858 124.3
[M+H-H2O]+ 185.032960 115.5
[M+HCOO]- 247.033901 136.9
[M+CH3COO]- 261.049551 194.8
[M+Na-2H]- 223.010366 129.4
[M]+ 202.03515142 150.1
[M]- 202.03624858 150.1
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.