CID 162479144

Methyl (2s)-2-amino-3-(2,2-difluorocyclopropyl)propanoate hydrochloride

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)[C@H](CC1CC1(F)F)N
InChI
InChI=1S/C7H11F2NO2/c1-12-6(11)5(10)2-4-3-7(4,8)9/h4-5H,2-3,10H2,1H3/t4?,5-/m0/s1
InChIKey
BTPHBNQVIHWKBY-AKGZTFGVSA-N
Compound name
methyl (2S)-2-amino-3-(2,2-difluorocyclopropyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.07579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08307 131.7
[M+Na]+ 202.06501 141.0
[M-H]- 178.06851 133.7
[M+NH4]+ 197.10961 148.4
[M+K]+ 218.03895 139.5
[M+H-H2O]+ 162.07305 125.6
[M+HCOO]- 224.07399 152.2
[M+CH3COO]- 238.08964 186.2
[M+Na-2H]- 200.05046 135.2
[M]+ 179.07524 132.2
[M]- 179.07634 132.2
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