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]+ 183.11037 130.2
[M+Na]+ 205.09231 137.8
[M-H]- 181.09581 131.7
[M+NH4]+ 200.13691 145.1
[M+K]+ 221.06625 135.8
[M+H-H2O]+ 165.10035 121.5
[M+HCOO]- 227.10129 151.5
[M+CH3COO]- 241.11694 191.9
[M+Na-2H]- 203.07776 135.4
[M]+ 182.10254 127.7
[M]- 182.10364 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.