CID 166434688

1-((4-amino-2-methylpyrimidin-5-yl)methyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC1=NC=C(C(=N1)N)CN2CCC(C2)C(=O)O
InChI
InChI=1S/C11H16N4O2/c1-7-13-4-9(10(12)14-7)6-15-3-2-8(5-15)11(16)17/h4,8H,2-3,5-6H2,1H3,(H,16,17)(H2,12,13,14)
InChIKey
PUXQPKNPWJDZTP-UHFFFAOYSA-N
Compound name
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 154.0
[M+Na]+ 259.11654 163.7
[M+NH4]+ 254.16114 159.6
[M+K]+ 275.09048 161.6
[M-H]- 235.12004 154.6
[M+Na-2H]- 257.10199 158.0
[M]+ 236.12677 155.0
[M]- 236.12787 155.0
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.