CID 119030869

1820576-20-2

Structural Information

Molecular Formula
C10H16FN3O
SMILES
CC1=NOC(=C1)CN2C[C@H](C[C@H]2CN)F
InChI
InChI=1S/C10H16FN3O/c1-7-2-10(15-13-7)6-14-5-8(11)3-9(14)4-12/h2,8-9H,3-6,12H2,1H3/t8-,9-/m0/s1
InChIKey
YSBVDQGUDNYDDF-IUCAKERBSA-N
Compound name
[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.12775 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13503 146.5
[M+Na]+ 236.11697 154.5
[M-H]- 212.12047 149.8
[M+NH4]+ 231.16157 164.5
[M+K]+ 252.09091 152.9
[M+H-H2O]+ 196.12501 138.3
[M+HCOO]- 258.12595 166.9
[M+CH3COO]- 272.14160 188.6
[M+Na-2H]- 234.10242 147.0
[M]+ 213.12720 144.4
[M]- 213.12830 144.4
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

No patent data available for this compound.