CID 3033044

Ketone, 3-chloro-1-adamantyl diazomethyl

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1C2CC3CC1CC(C2)(C3C(=O)C=[N+]=[N-])Cl
InChI
InChI=1S/C12H15ClN2O/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
GGJBLTWIZGWCKQ-UHFFFAOYSA-N
Compound name
1-(1-chloro-2-adamantyl)-2-diazoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.094576 150.0
[M+Na]+ 261.076518 152.4
[M-H]- 237.080024 146.2
[M+NH4]+ 256.121123 174.7
[M+K]+ 277.050458 144.0
[M+H-H2O]+ 221.084560 149.6
[M+HCOO]- 283.085501 156.7
[M+CH3COO]- 297.101151 197.0
[M+Na-2H]- 259.061966 161.9
[M]+ 238.08675142 149.0
[M]- 238.08784858 149.0
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.