CID 218272

2-pentyn-1-amine, n,n-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C12H21Cl2NO
SMILES
CCOC(C)(C)C#CCN(CCCl)CCCl
InChI
InChI=1S/C12H21Cl2NO/c1-4-16-12(2,3)6-5-9-15(10-7-13)11-8-14/h4,7-11H2,1-3H3
InChIKey
RCPWWQPCUZUROC-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-ethoxy-4-methylpent-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10728 159.7
[M+Na]+ 288.08922 168.3
[M-H]- 264.09272 159.7
[M+NH4]+ 283.13382 176.5
[M+K]+ 304.06316 163.7
[M+H-H2O]+ 248.09726 150.1
[M+HCOO]- 310.09820 168.0
[M+CH3COO]- 324.11385 207.2
[M+Na-2H]- 286.07467 162.2
[M]+ 265.09945 160.7
[M]- 265.10055 160.7
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.