CID 89826139

(2s)-4,4-difluoro-n-methylpyrrolidine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C6H10F2N2O
SMILES
CNC(=O)[C@@H]1CC(CN1)(F)F
InChI
InChI=1S/C6H10F2N2O/c1-9-5(11)4-2-6(7,8)3-10-4/h4,10H,2-3H2,1H3,(H,9,11)/t4-/m0/s1
InChIKey
MRYNKRWILVCCHD-BYPYZUCNSA-N
Compound name
(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

164.07613 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.083406 130.8
[M+Na]+ 187.065348 137.9
[M-H]- 163.068854 129.1
[M+NH4]+ 182.109953 152.7
[M+K]+ 203.039288 136.2
[M+H-H2O]+ 147.073390 124.1
[M+HCOO]- 209.074331 149.7
[M+CH3COO]- 223.089981 175.4
[M+Na-2H]- 185.050796 134.3
[M]+ 164.07558142 123.6
[M]- 164.07667858 123.6
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