CID 58224

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

Structural Information

Molecular Formula
C14H23Cl2NO
SMILES
CC12CCC(C1(C)CN(CCCl)CCCl)CC2=O
InChI
InChI=1S/C14H23Cl2NO/c1-13-4-3-11(9-12(13)18)14(13,2)10-17(7-5-15)8-6-16/h11H,3-10H2,1-2H3
InChIKey
RRPZILFAYUFLMF-UHFFFAOYSA-N
Compound name
7-[bis(2-chloroethyl)aminomethyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11566 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12294 170.7
[M+Na]+ 314.10488 179.0
[M-H]- 290.10838 173.8
[M+NH4]+ 309.14948 196.9
[M+K]+ 330.07882 173.1
[M+H-H2O]+ 274.11292 168.1
[M+HCOO]- 336.11386 182.5
[M+CH3COO]- 350.12951 205.3
[M+Na-2H]- 312.09033 171.8
[M]+ 291.11511 175.2
[M]- 291.11621 175.2
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.