CID 218268

Nsc 130110

Structural Information

Molecular Formula
C12H19Cl2NO
SMILES
C1CCC(C1)(C#CCN(CCCl)CCCl)O
InChI
InChI=1S/C12H19Cl2NO/c13-7-10-15(11-8-14)9-3-6-12(16)4-1-2-5-12/h16H,1-2,4-5,7-11H2
InChIKey
MWDQOSGWMOYMLN-UHFFFAOYSA-N
Compound name
1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08438 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09166 160.5
[M+Na]+ 286.07360 169.4
[M-H]- 262.07710 161.5
[M+NH4]+ 281.11820 179.5
[M+K]+ 302.04754 161.5
[M+H-H2O]+ 246.08164 150.7
[M+HCOO]- 308.08258 168.3
[M+CH3COO]- 322.09823 200.6
[M+Na-2H]- 284.05905 161.5
[M]+ 263.08383 156.3
[M]- 263.08493 156.3
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.