CID 129452508

1936361-46-4

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC(C)(C)OC(=O)N1CCNC2=CN=CN=C21
InChI
InChI=1S/C11H16N4O2/c1-11(2,3)17-10(16)15-5-4-13-8-6-12-7-14-9(8)15/h6-7,13H,4-5H2,1-3H3
InChIKey
YSJCBFKMWKELJK-UHFFFAOYSA-N
Compound name
tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.134596 157.9
[M+Na]+ 259.116538 164.9
[M-H]- 235.120044 155.2
[M+NH4]+ 254.161143 170.5
[M+K]+ 275.090478 161.9
[M+H-H2O]+ 219.124580 149.3
[M+HCOO]- 281.125521 169.8
[M+CH3COO]- 295.141171 187.8
[M+Na-2H]- 257.101986 164.5
[M]+ 236.12677142 155.7
[M]- 236.12786858 155.7
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.