CID 132327967

N3-cyclopropyl-4,4,4-trifluorobutane-1,3-diamine

Structural Information

Molecular Formula
C7H13F3N2
SMILES
C1CC1NC(CCN)C(F)(F)F
InChI
InChI=1S/C7H13F3N2/c8-7(9,10)6(3-4-11)12-5-1-2-5/h5-6,12H,1-4,11H2
InChIKey
QBXFMBNLKXDUOV-UHFFFAOYSA-N
Compound name
3-N-cyclopropyl-4,4,4-trifluorobutane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10309 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.110366 128.7
[M+Na]+ 205.092308 136.0
[M-H]- 181.095814 128.8
[M+NH4]+ 200.136913 143.0
[M+K]+ 221.066248 133.0
[M+H-H2O]+ 165.100350 120.3
[M+HCOO]- 227.101291 148.6
[M+CH3COO]- 241.116941 189.4
[M+Na-2H]- 203.077756 133.6
[M]+ 182.10254142 124.5
[M]- 182.10363858 124.5
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.