CID 218270

40415-95-0

Structural Information

Molecular Formula
C14H23Cl2NO
SMILES
CC1CCCCC1(C#CCN(CCCl)CCCl)O
InChI
InChI=1S/C14H23Cl2NO/c1-13-5-2-3-6-14(13,18)7-4-10-17(11-8-15)12-9-16/h13,18H,2-3,5-6,8-12H2,1H3
InChIKey
UYFSHNCOOQLGII-UHFFFAOYSA-N
Compound name
1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-2-methylcyclohexan-1-ol
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 164.1
[M+Na]+ 314.10488 172.2
[M-H]- 290.10838 165.1
[M+NH4]+ 309.14948 180.9
[M+K]+ 330.07882 164.5
[M+H-H2O]+ 274.11292 154.8
[M+HCOO]- 336.11386 169.7
[M+CH3COO]- 350.12951 207.1
[M+Na-2H]- 312.09033 165.0
[M]+ 291.11511 159.4
[M]- 291.11621 159.4
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.