CID 61349567

N-(2-aminoethyl)-n-(2,2,2-trifluoroethyl)cyclopropanamine

Structural Information

Molecular Formula
C7H13F3N2
SMILES
C1CC1N(CCN)CC(F)(F)F
InChI
InChI=1S/C7H13F3N2/c8-7(9,10)5-12(4-3-11)6-1-2-6/h6H,1-5,11H2
InChIKey
AXNWPWWQTPCEFK-UHFFFAOYSA-N
Compound name
N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10309 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.110366 130.2
[M+Na]+ 205.092308 137.8
[M-H]- 181.095814 131.7
[M+NH4]+ 200.136913 145.1
[M+K]+ 221.066248 135.8
[M+H-H2O]+ 165.100350 121.5
[M+HCOO]- 227.101291 151.5
[M+CH3COO]- 241.116941 191.9
[M+Na-2H]- 203.077756 135.4
[M]+ 182.10254142 127.7
[M]- 182.10363858 127.7
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.