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

41
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 177.0
[M+Na]+ 232.05558 179.5
[M-H]- 208.05908 175.6
[M+NH4]+ 227.10018 180.6
[M+K]+ 248.02952 184.8
[M+H-H2O]+ 192.06362 161.8
[M+HCOO]- 254.06456 183.9
[M+CH3COO]- 268.08021 212.2
[M+Na-2H]- 230.04103 178.8
[M]+ 209.06581 195.9
[M]- 209.06691 195.9
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