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

8
Patents

179.07579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 131.7
[M+Na]+ 202.065008 141.0
[M-H]- 178.068514 133.7
[M+NH4]+ 197.109613 148.4
[M+K]+ 218.038948 139.5
[M+H-H2O]+ 162.073050 125.6
[M+HCOO]- 224.073991 152.2
[M+CH3COO]- 238.089641 186.2
[M+Na-2H]- 200.050456 135.2
[M]+ 179.07524142 132.2
[M]- 179.07633858 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