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]+ 203.04298 119.8
[M+Na]+ 225.02492 128.5
[M-H]- 201.02842 128.1
[M+NH4]+ 220.06952 133.8
[M+K]+ 240.99886 124.3
[M+H-H2O]+ 185.03296 115.5
[M+HCOO]- 247.03390 136.9
[M+CH3COO]- 261.04955 194.8
[M+Na-2H]- 223.01037 129.4
[M]+ 202.03515 150.1
[M]- 202.03625 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.