CID 3033044

3-chloroadamantyl diazomethyl ketone

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]+ 239.09458 150.0
[M+Na]+ 261.07652 152.4
[M-H]- 237.08002 146.2
[M+NH4]+ 256.12112 174.7
[M+K]+ 277.05046 144.0
[M+H-H2O]+ 221.08456 149.6
[M+HCOO]- 283.08550 156.7
[M+CH3COO]- 297.10115 197.0
[M+Na-2H]- 259.06197 161.9
[M]+ 238.08675 149.0
[M]- 238.08785 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.