CID 71301324

Tropinon-bis-(2-chloraethyl)-hydrazon

Structural Information

Molecular Formula
C12H21Cl2N3
SMILES
CN1[C@@H]2CC[C@@H]1CC(=NN(CCCl)CCCl)C2
InChI
InChI=1S/C12H21Cl2N3/c1-16-11-2-3-12(16)9-10(8-11)15-17(6-4-13)7-5-14/h11-12H,2-9H2,1H3/t11-,12-/m1/s1
InChIKey
QVUBIXLIYSJLAV-VXGBXAGGSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.11127 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11855 168.0
[M+Na]+ 300.10049 173.8
[M-H]- 276.10399 170.0
[M+NH4]+ 295.14509 188.1
[M+K]+ 316.07443 169.3
[M+H-H2O]+ 260.10853 161.7
[M+HCOO]- 322.10947 179.1
[M+CH3COO]- 336.12512 207.6
[M+Na-2H]- 298.08594 169.4
[M]+ 277.11072 169.5
[M]- 277.11182 169.5
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.