CID 137952003

2193065-92-6

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
COC(=O)C(C1(CC1)C(F)(F)F)N
InChI
InChI=1S/C7H10F3NO2/c1-13-5(12)4(11)6(2-3-6)7(8,9)10/h4H,2-3,11H2,1H3
InChIKey
GKHFWOLMEUCNEN-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 132.9
[M+Na]+ 220.05558 141.8
[M-H]- 196.05908 133.6
[M+NH4]+ 215.10018 148.7
[M+K]+ 236.02952 140.5
[M+H-H2O]+ 180.06362 126.4
[M+HCOO]- 242.06456 151.0
[M+CH3COO]- 256.08021 187.4
[M+Na-2H]- 218.04103 137.5
[M]+ 197.06581 131.3
[M]- 197.06691 131.3
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

No patent data available for this compound.