CID 58226

9-(bis(2-chloroethyl)amino)camphor n-oxide hydrochloride

Structural Information

Molecular Formula
C14H24Cl2NO2
SMILES
CC12CCC(C1(C)C[N+](CCCl)(CCCl)O)CC2=O
InChI
InChI=1S/C14H24Cl2NO2/c1-13-4-3-11(9-12(13)18)14(13,2)10-17(19,7-5-15)8-6-16/h11,19H,3-10H2,1-2H3/q+1
InChIKey
NGCCISOFYLLUEW-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl)-[(1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl)methyl]-hydroxyazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12568 171.8
[M+Na]+ 331.10762 179.7
[M-H]- 307.11112 173.8
[M+NH4]+ 326.15222 196.6
[M+K]+ 347.08156 168.3
[M+H-H2O]+ 291.11566 173.0
[M+HCOO]- 353.11660 181.2
[M+CH3COO]- 367.13225 197.6
[M+Na-2H]- 329.09307 177.6
[M]+ 308.11785 174.4
[M]- 308.11895 174.4
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

No patent data available for this compound.