CID 218274

40416-21-5

Structural Information

Molecular Formula
C11H19Cl2NO
SMILES
CC(C)(C#CCN(CCCl)CCCl)OC
InChI
InChI=1S/C11H19Cl2NO/c1-11(2,15-3)5-4-8-14(9-6-12)10-7-13/h6-10H2,1-3H3
InChIKey
CVXUZAPVMMBSOF-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-methoxy-4-methylpent-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08437 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09165 155.7
[M+Na]+ 274.07359 164.7
[M-H]- 250.07709 155.9
[M+NH4]+ 269.11819 173.0
[M+K]+ 290.04753 160.3
[M+H-H2O]+ 234.08163 146.3
[M+HCOO]- 296.08257 164.3
[M+CH3COO]- 310.09822 204.5
[M+Na-2H]- 272.05904 158.7
[M]+ 251.08382 156.4
[M]- 251.08492 156.4
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.