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]+ 209.139696 146.6
[M+Na]+ 231.121638 153.8
[M-H]- 207.125144 148.8
[M+NH4]+ 226.166243 162.7
[M+K]+ 247.095578 151.2
[M+H-H2O]+ 191.129680 137.4
[M+HCOO]- 253.130621 166.9
[M+CH3COO]- 267.146271 187.3
[M+Na-2H]- 229.107086 150.2
[M]+ 208.13187142 144.3
[M]- 208.13296858 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.