CID 61150079

N1-(2,2,2-trifluoroethyl)propane-1,3-diamine

Structural Information

Molecular Formula
C5H11F3N2
SMILES
C(CN)CNCC(F)(F)F
InChI
InChI=1S/C5H11F3N2/c6-5(7,8)4-10-3-1-2-9/h10H,1-4,9H2
InChIKey
LINUZFDLGWCGBG-UHFFFAOYSA-N
Compound name
N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

156.08743 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.094706 129.4
[M+Na]+ 179.076648 135.9
[M-H]- 155.080154 125.3
[M+NH4]+ 174.121253 149.6
[M+K]+ 195.050588 134.6
[M+H-H2O]+ 139.084690 122.0
[M+HCOO]- 201.085631 150.1
[M+CH3COO]- 215.101281 181.1
[M+Na-2H]- 177.062096 135.2
[M]+ 156.08688142 123.3
[M]- 156.08797858 123.3
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

patents stripe