CID 155858390

2580102-09-4

Structural Information

Molecular Formula
C10H14ClNO
SMILES
C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2CN(C3)C(=O)Cl
InChI
InChI=1S/C10H14ClNO/c11-10(13)12-4-8-6-1-2-7(3-6)9(8)5-12/h6-9H,1-5H2/t6-,7+,8+,9-
InChIKey
AKULMZVZLLRXFX-OJOKCITNSA-N
Compound name
(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]decane-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.083666 150.8
[M+Na]+ 222.065608 159.0
[M-H]- 198.069114 153.1
[M+NH4]+ 217.110213 177.3
[M+K]+ 238.039548 155.2
[M+H-H2O]+ 182.073650 146.7
[M+HCOO]- 244.074591 164.2
[M+CH3COO]- 258.090241 163.2
[M+Na-2H]- 220.051056 149.8
[M]+ 199.07584142 150.0
[M]- 199.07693858 150.0
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.