CID 112756647

1807941-78-1

Structural Information

Molecular Formula
C10H17FN4O
SMILES
CC1=NC(=NO1)CN2C[C@H](C[C@H]2CNC)F
InChI
InChI=1S/C10H17FN4O/c1-7-13-10(14-16-7)6-15-5-8(11)3-9(15)4-12-2/h8-9,12H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKey
GOPMEIBTYUOAEH-IUCAKERBSA-N
Compound name
1-[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14592 150.6
[M+Na]+ 251.12786 158.5
[M-H]- 227.13136 152.9
[M+NH4]+ 246.17246 166.8
[M+K]+ 267.10180 157.2
[M+H-H2O]+ 211.13590 141.3
[M+HCOO]- 273.13684 170.2
[M+CH3COO]- 287.15249 192.1
[M+Na-2H]- 249.11331 151.8
[M]+ 228.13809 149.9
[M]- 228.13919 149.9
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.