CID 97296880

2137837-57-9

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1[C@H]([C@@H]1C(F)(F)F)CN
InChI
InChI=1S/C5H8F3N/c6-5(7,8)4-1-3(4)2-9/h3-4H,1-2,9H2/t3-,4+/m0/s1
InChIKey
YBEXADVXCHNUQP-IUYQGCFVSA-N
Compound name
[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.068156 118.1
[M+Na]+ 162.050098 128.1
[M-H]- 138.053604 119.0
[M+NH4]+ 157.094703 134.7
[M+K]+ 178.024038 125.4
[M+H-H2O]+ 122.058140 110.5
[M+HCOO]- 184.059081 138.4
[M+CH3COO]- 198.074731 179.2
[M+Na-2H]- 160.035546 124.1
[M]+ 139.06033142 114.8
[M]- 139.06142858 114.8
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.