CID 167180679

2-methyl-2-(trifluoromethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
CC1(CCN1)C(F)(F)F
InChI
InChI=1S/C5H8F3N/c1-4(2-3-9-4)5(6,7)8/h9H,2-3H2,1H3
InChIKey
PNMTXFYDFXSZHZ-UHFFFAOYSA-N
Compound name
2-methyl-2-(trifluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.068156 126.9
[M+Na]+ 162.050098 134.2
[M-H]- 138.053604 124.4
[M+NH4]+ 157.094703 142.1
[M+K]+ 178.024038 135.2
[M+H-H2O]+ 122.058140 116.0
[M+HCOO]- 184.059081 142.0
[M+CH3COO]- 198.074731 173.3
[M+Na-2H]- 160.035546 133.4
[M]+ 139.06033142 128.4
[M]- 139.06142858 128.4
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

patents stripe