CID 3064926

106036-82-2

Structural Information

Molecular Formula
C7H11F6N3
SMILES
CNCCN1C(N1C)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H11F6N3/c1-14-3-4-16-5(15(16)2,6(8,9)10)7(11,12)13/h14H,3-4H2,1-2H3
InChIKey
NZPQJPUHVSRNHV-UHFFFAOYSA-N
Compound name
N-methyl-2-[2-methyl-3,3-bis(trifluoromethyl)diaziridin-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09300 163.0
[M+Na]+ 274.07494 165.6
[M+NH4]+ 269.11954 165.1
[M+K]+ 290.04888 163.7
[M-H]- 250.07844 159.6
[M+Na-2H]- 272.06039 164.4
[M]+ 251.08517 162.6
[M]- 251.08627 162.6
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.