CID 66471858

1-(1-bromopropan-2-yl)adamantane

Structural Information

Molecular Formula
C13H21Br
SMILES
CC(CBr)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H21Br/c1-9(8-14)13-5-10-2-11(6-13)4-12(3-10)7-13/h9-12H,2-8H2,1H3
InChIKey
KKWYVJXQQUOYRU-UHFFFAOYSA-N
Compound name
1-(1-bromopropan-2-yl)adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08267 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08995 160.8
[M+Na]+ 279.07189 165.4
[M-H]- 255.07539 158.9
[M+NH4]+ 274.11649 187.5
[M+K]+ 295.04583 155.1
[M+H-H2O]+ 239.07993 161.0
[M+HCOO]- 301.08087 165.4
[M+CH3COO]- 315.09652 170.6
[M+Na-2H]- 277.05734 170.0
[M]+ 256.08212 177.2
[M]- 256.08322 177.2
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.