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
(1S,5R)-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]+ 185.072766 144.1
[M+Na]+ 207.054708 150.4
[M-H]- 183.058214 142.0
[M+NH4]+ 202.099313 174.9
[M+K]+ 223.028648 145.7
[M+H-H2O]+ 167.062750 141.4
[M+HCOO]- 229.063691 152.2
[M+CH3COO]- 243.079341 155.5
[M+Na-2H]- 205.040156 150.4
[M]+ 184.06494142 147.4
[M]- 184.06603858 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