CID 64565127

1-(3,3,3-trifluoropropyl)azetidin-3-amine

Structural Information

Molecular Formula
C6H11F3N2
SMILES
C1C(CN1CCC(F)(F)F)N
InChI
InChI=1S/C6H11F3N2/c7-6(8,9)1-2-11-3-5(10)4-11/h5H,1-4,10H2
InChIKey
SLAOJCJLHUAWQS-UHFFFAOYSA-N
Compound name
1-(3,3,3-trifluoropropyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

168.08743 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09471 135.5
[M+Na]+ 191.07665 141.6
[M-H]- 167.08015 133.3
[M+NH4]+ 186.12125 147.8
[M+K]+ 207.05059 142.9
[M+H-H2O]+ 151.08469 122.1
[M+HCOO]- 213.08563 151.9
[M+CH3COO]- 227.10128 184.3
[M+Na-2H]- 189.06210 139.2
[M]+ 168.08688 137.3
[M]- 168.08798 137.3
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