CID 3033046

3-bromoadamantyl diazomethyl ketone

Structural Information

Molecular Formula
C12H15BrN2O
SMILES
C1C2CC3CC1CC(C2)(C3C(=O)C=[N+]=[N-])Br
InChI
InChI=1S/C12H15BrN2O/c13-12-4-7-1-8(5-12)3-9(2-7)11(12)10(16)6-15-14/h6-9,11H,1-5H2
InChIKey
YJUICINNXDKJKF-UHFFFAOYSA-N
Compound name
1-(1-bromo-2-adamantyl)-2-diazoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.03677 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04405 156.3
[M+Na]+ 305.02599 160.8
[M-H]- 281.02949 155.5
[M+NH4]+ 300.07059 181.4
[M+K]+ 320.99993 146.5
[M+H-H2O]+ 265.03403 159.8
[M+HCOO]- 327.03497 165.4
[M+CH3COO]- 341.05062 202.3
[M+Na-2H]- 303.01144 168.8
[M]+ 282.03622 171.6
[M]- 282.03732 171.6
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.