CID 68263735

1320267-01-3

Structural Information

Molecular Formula
C10H13IN4
SMILES
CC(C)(C)C1=NC(=C2N1C=CN=C2N)I
InChI
InChI=1S/C10H13IN4/c1-10(2,3)9-14-7(11)6-8(12)13-4-5-15(6)9/h4-5H,1-3H3,(H2,12,13)
InChIKey
HRFSFNTVWAKTSW-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-iodoimidazo[1,5-a]pyrazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

316.0185 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.02578 152.3
[M+Na]+ 339.00772 156.8
[M-H]- 315.01122 146.9
[M+NH4]+ 334.05232 165.7
[M+K]+ 354.98166 158.9
[M+H-H2O]+ 299.01576 141.7
[M+HCOO]- 361.01670 168.3
[M+CH3COO]- 375.03235 197.8
[M+Na-2H]- 336.99317 147.4
[M]+ 316.01795 151.5
[M]- 316.01905 151.5
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