CID 67053314

(2s,4s)-4-fluoro-1-methylpyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H10FNO2
SMILES
CN1C[C@H](C[C@H]1C(=O)O)F
InChI
InChI=1S/C6H10FNO2/c1-8-3-4(7)2-5(8)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKey
WWTABXAXNXQPOH-WHFBIAKZSA-N
Compound name
(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

147.06955 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.076826 128.1
[M+Na]+ 170.058768 136.0
[M-H]- 146.062274 127.8
[M+NH4]+ 165.103373 149.3
[M+K]+ 186.032708 135.0
[M+H-H2O]+ 130.066810 122.0
[M+HCOO]- 192.067751 147.2
[M+CH3COO]- 206.083401 172.1
[M+Na-2H]- 168.044216 129.9
[M]+ 147.06900142 124.4
[M]- 147.07009858 124.4
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