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
(1S,2R,6S,7R)-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]+ 200.08367 150.8
[M+Na]+ 222.06561 159.0
[M-H]- 198.06911 153.1
[M+NH4]+ 217.11021 177.3
[M+K]+ 238.03955 155.2
[M+H-H2O]+ 182.07365 146.7
[M+HCOO]- 244.07459 164.2
[M+CH3COO]- 258.09024 163.2
[M+Na-2H]- 220.05106 149.8
[M]+ 199.07584 150.0
[M]- 199.07694 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.