CID 67148810

1783418-59-6

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CC1(CN)C(F)(F)F
InChI
InChI=1S/C5H8F3N/c6-5(7,8)4(3-9)1-2-4/h1-3,9H2
InChIKey
LQOSVMQJSLKKRK-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
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 119.0
[M+Na]+ 162.050098 128.8
[M-H]- 138.053604 119.9
[M+NH4]+ 157.094703 137.2
[M+K]+ 178.024038 127.2
[M+H-H2O]+ 122.058140 112.5
[M+HCOO]- 184.059081 139.0
[M+CH3COO]- 198.074731 177.8
[M+Na-2H]- 160.035546 126.8
[M]+ 139.06033142 115.7
[M]- 139.06142858 115.7
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

patents stripe