CID 121553028

3-methyl-3-(2,2,2-trifluoroethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C6H10F3N
SMILES
CC1(CNC1)CC(F)(F)F
InChI
InChI=1S/C6H10F3N/c1-5(3-10-4-5)2-6(7,8)9/h10H,2-4H2,1H3
InChIKey
NZNKFXZQISDNJX-UHFFFAOYSA-N
Compound name
3-methyl-3-(2,2,2-trifluoroethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

153.07654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08382 131.5
[M+Na]+ 176.06576 138.4
[M-H]- 152.06926 128.9
[M+NH4]+ 171.11036 146.3
[M+K]+ 192.03970 139.2
[M+H-H2O]+ 136.07380 120.4
[M+HCOO]- 198.07474 146.3
[M+CH3COO]- 212.09039 176.3
[M+Na-2H]- 174.05121 137.6
[M]+ 153.07599 133.4
[M]- 153.07709 133.4
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.