CID 10856862

Ctk1f6641

Structural Information

Molecular Formula
C10H15Br
SMILES
CC1([C@H]2CC=C([C@@H]1C2)CBr)C
InChI
InChI=1S/C10H15Br/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6H2,1-2H3/t8-,9-/m0/s1
InChIKey
SNAIDRDMHGKCAX-IUCAKERBSA-N
Compound name
(1R,5S)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0357 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04298 145.1
[M+Na]+ 237.02492 155.2
[M-H]- 213.02842 147.9
[M+NH4]+ 232.06952 167.6
[M+K]+ 252.99886 147.8
[M+H-H2O]+ 197.03296 143.5
[M+HCOO]- 259.03390 158.2
[M+CH3COO]- 273.04955 194.0
[M+Na-2H]- 235.01037 156.4
[M]+ 214.03515 174.0
[M]- 214.03625 174.0
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.