CID 131036700

1935433-94-5

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CC(C)(C)OC(=O)N1CCN2C(C1)CCNC2=O
InChI
InChI=1S/C12H21N3O3/c1-12(2,3)18-11(17)14-6-7-15-9(8-14)4-5-13-10(15)16/h9H,4-8H2,1-3H3,(H,13,16)
InChIKey
FDLSFQJSNYBLEU-UHFFFAOYSA-N
Compound name
tert-butyl 6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

255.1583 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 163.1
[M+Na]+ 278.14752 167.6
[M-H]- 254.15102 160.8
[M+NH4]+ 273.19212 176.2
[M+K]+ 294.12146 165.4
[M+H-H2O]+ 238.15556 155.4
[M+HCOO]- 300.15650 172.1
[M+CH3COO]- 314.17215 191.5
[M+Na-2H]- 276.13297 165.7
[M]+ 255.15775 157.7
[M]- 255.15885 157.7
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

patents stripe