CID 16228663

(2s)-2-amino-2-[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]acetic acid hydrochloride

Structural Information

Molecular Formula
C8H10F3NO2
SMILES
C1C2(CC1(C2)C(F)(F)F)[C@@H](C(=O)O)N
InChI
InChI=1S/C8H10F3NO2/c9-8(10,11)7-1-6(2-7,3-7)4(12)5(13)14/h4H,1-3,12H2,(H,13,14)/t4-,6?,7?/m1/s1
InChIKey
VVOOIFQERLCXQE-SIZQZZMJSA-N
Compound name
(2S)-2-amino-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

209.06636 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07364 175.1
[M+Na]+ 232.05558 169.3
[M+NH4]+ 227.10018 172.5
[M+K]+ 248.02952 167.6
[M-H]- 208.05908 164.4
[M+Na-2H]- 230.04103 168.1
[M]+ 209.06581 168.6
[M]- 209.06691 168.6
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