CID 218266

4-methyl-1-(bis(2-chloroethyl)amino)-2-decyn-4-ol hydrochloride

Structural Information

Molecular Formula
C15H27Cl2NO
SMILES
CCCCCCC(C)(C#CCN(CCCl)CCCl)O
InChI
InChI=1S/C15H27Cl2NO/c1-3-4-5-6-8-15(2,19)9-7-12-18(13-10-16)14-11-17/h19H,3-6,8,10-14H2,1-2H3
InChIKey
ZHAPSILCTROEIQ-UHFFFAOYSA-N
Compound name
1-[bis(2-chloroethyl)amino]-4-methyldec-2-yn-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14697 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15425 172.4
[M+Na]+ 330.13619 179.6
[M-H]- 306.13969 170.8
[M+NH4]+ 325.18079 187.1
[M+K]+ 346.11013 173.5
[M+H-H2O]+ 290.14423 162.6
[M+HCOO]- 352.14517 178.6
[M+CH3COO]- 366.16082 212.6
[M+Na-2H]- 328.12164 173.0
[M]+ 307.14642 172.7
[M]- 307.14752 172.7
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.