CID 137935547

2248366-98-3

Structural Information

Molecular Formula
C5H8F3N3
SMILES
C(CC1(N=N1)C(F)(F)F)CN
InChI
InChI=1S/C5H8F3N3/c6-5(7,8)4(10-11-4)2-1-3-9/h1-3,9H2
InChIKey
BJYJOIHEEFYGDF-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)diazirin-3-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06703 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07431 132.4
[M+Na]+ 190.05625 143.2
[M-H]- 166.05975 130.6
[M+NH4]+ 185.10085 147.0
[M+K]+ 206.03019 140.5
[M+H-H2O]+ 150.06429 123.9
[M+HCOO]- 212.06523 151.4
[M+CH3COO]- 226.08088 182.5
[M+Na-2H]- 188.04170 140.5
[M]+ 167.06648 131.3
[M]- 167.06758 131.3
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.