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]+ 148.07683 128.1
[M+Na]+ 170.05877 136.0
[M-H]- 146.06227 127.8
[M+NH4]+ 165.10337 149.3
[M+K]+ 186.03271 135.0
[M+H-H2O]+ 130.06681 122.0
[M+HCOO]- 192.06775 147.2
[M+CH3COO]- 206.08340 172.1
[M+Na-2H]- 168.04422 129.9
[M]+ 147.06900 124.4
[M]- 147.07010 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