CID 139023977

2171157-97-2

Structural Information

Molecular Formula
C10H16N4O
SMILES
CO[C@H]1C[C@H](N(C1)C2=NC=NC=C2)CN
InChI
InChI=1S/C10H16N4O/c1-15-9-4-8(5-11)14(6-9)10-2-3-12-7-13-10/h2-3,7-9H,4-6,11H2,1H3/t8-,9-/m0/s1
InChIKey
SWUAQGCUEHHHQC-IUCAKERBSA-N
Compound name
[(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 146.6
[M+Na]+ 231.12164 153.8
[M-H]- 207.12514 148.8
[M+NH4]+ 226.16624 162.7
[M+K]+ 247.09558 151.2
[M+H-H2O]+ 191.12968 137.4
[M+HCOO]- 253.13062 166.9
[M+CH3COO]- 267.14627 187.3
[M+Na-2H]- 229.10709 150.2
[M]+ 208.13187 144.3
[M]- 208.13297 144.3
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.