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 154.2
[M+Na]+ 259.11654 161.3
[M-H]- 235.12004 155.5
[M+NH4]+ 254.16114 168.5
[M+K]+ 275.09048 158.0
[M+H-H2O]+ 219.12458 145.6
[M+HCOO]- 281.12552 172.1
[M+CH3COO]- 295.14117 191.3
[M+Na-2H]- 257.10199 155.0
[M]+ 236.12677 150.9
[M]- 236.12787 150.9
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.