CID 129972532

2728513-06-0

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CN=C2N)C1
InChI
InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-13-9(15)12/h6H,4-5,7H2,1-3H3,(H2,12,13)
InChIKey
XBCYFOLVZADCQU-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.14297 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 157.3
[M+Na]+ 261.13219 164.6
[M-H]- 237.13569 157.4
[M+NH4]+ 256.17679 173.6
[M+K]+ 277.10613 162.8
[M+H-H2O]+ 221.14023 149.8
[M+HCOO]- 283.14117 173.4
[M+CH3COO]- 297.15682 192.7
[M+Na-2H]- 259.11764 160.7
[M]+ 238.14242 156.0
[M]- 238.14352 156.0
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

patents stripe