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]+ 203.04298 118.1
[M+Na]+ 225.02492 126.8
[M-H]- 201.02842 126.2
[M+NH4]+ 220.06952 130.7
[M+K]+ 240.99886 122.7
[M+H-H2O]+ 185.03296 112.5
[M+HCOO]- 247.03390 135.2
[M+CH3COO]- 261.04955 195.8
[M+Na-2H]- 223.01037 126.4
[M]+ 202.03515 148.4
[M]- 202.03625 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.