CID 165995971

Methyl({2-[3-(trifluoromethyl)-3h-diazirin-3-yl]ethyl})amine hydrochloride

Structural Information

Molecular Formula
C5H8F3N3
SMILES
CNCCC1(N=N1)C(F)(F)F
InChI
InChI=1S/C5H8F3N3/c1-9-3-2-4(10-11-4)5(6,7)8/h9H,2-3H2,1H3
InChIKey
SGOQSUJTQKBQGC-UHFFFAOYSA-N
Compound name
N-methyl-2-[3-(trifluoromethyl)diazirin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07431 132.7
[M+Na]+ 190.05625 143.5
[M-H]- 166.05975 131.4
[M+NH4]+ 185.10085 147.6
[M+K]+ 206.03019 141.2
[M+H-H2O]+ 150.06429 124.1
[M+HCOO]- 212.06523 152.3
[M+CH3COO]- 226.08088 183.2
[M+Na-2H]- 188.04170 141.7
[M]+ 167.06648 132.6
[M]- 167.06758 132.6
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.