CID 11126955

3-noradamantanecarbonyl chloride

Structural Information

Molecular Formula
C10H13ClO
SMILES
C1[C@@H]2CC3C[C@H]1CC3(C2)C(=O)Cl
InChI
InChI=1S/C10H13ClO/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2/t6-,7+,8?,10?
InChIKey
FEJBSNLESASJKD-NLZKFAMNSA-N
Compound name
(1R,5S)-tricyclo[3.3.1.03,7]nonane-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.06549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 144.1
[M+Na]+ 207.05471 150.4
[M-H]- 183.05821 142.0
[M+NH4]+ 202.09931 174.9
[M+K]+ 223.02865 145.7
[M+H-H2O]+ 167.06275 141.4
[M+HCOO]- 229.06369 152.2
[M+CH3COO]- 243.07934 155.5
[M+Na-2H]- 205.04016 150.4
[M]+ 184.06494 147.4
[M]- 184.06604 147.4
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

patents stripe