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]+ 157.09471 129.4
[M+Na]+ 179.07665 135.9
[M-H]- 155.08015 125.3
[M+NH4]+ 174.12125 149.6
[M+K]+ 195.05059 134.6
[M+H-H2O]+ 139.08469 122.0
[M+HCOO]- 201.08563 150.1
[M+CH3COO]- 215.10128 181.1
[M+Na-2H]- 177.06210 135.2
[M]+ 156.08688 123.3
[M]- 156.08798 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