CID 119030852

1820571-21-8

Structural Information

Molecular Formula
C11H18FN3O
SMILES
CC1=C(C(=NO1)C)CN2C[C@H](C[C@H]2CN)F
InChI
InChI=1S/C11H18FN3O/c1-7-11(8(2)16-14-7)6-15-5-9(12)3-10(15)4-13/h9-10H,3-6,13H2,1-2H3/t9-,10-/m0/s1
InChIKey
RBLSMTXIXHUSJY-UWVGGRQHSA-N
Compound name
[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14339 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15067 151.4
[M+Na]+ 250.13261 159.9
[M-H]- 226.13611 154.9
[M+NH4]+ 245.17721 169.2
[M+K]+ 266.10655 158.0
[M+H-H2O]+ 210.14065 143.4
[M+HCOO]- 272.14159 171.4
[M+CH3COO]- 286.15724 192.8
[M+Na-2H]- 248.11806 150.7
[M]+ 227.14284 150.0
[M]- 227.14394 150.0
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.