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 146.4
[M+Na]+ 274.07494 157.4
[M-H]- 250.07844 141.4
[M+NH4]+ 269.11954 158.3
[M+K]+ 290.04888 153.8
[M+H-H2O]+ 234.08298 136.0
[M+HCOO]- 296.08392 159.1
[M+CH3COO]- 310.09957 199.5
[M+Na-2H]- 272.06039 151.5
[M]+ 251.08517 141.9
[M]- 251.08627 141.9
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.