CID 9815488

N6-cyclopropyl-9h-purine-2,6-diamine

Structural Information

Molecular Formula
C8H10N6
SMILES
C1CC1NC2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C8H10N6/c9-8-13-6-5(10-3-11-6)7(14-8)12-4-1-2-4/h3-4H,1-2H2,(H4,9,10,11,12,13,14)
InChIKey
IYWUSKBMXQERLH-UHFFFAOYSA-N
Compound name
6-N-cyclopropyl-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

238
Patents

190.0967 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.103976 145.9
[M+Na]+ 213.085918 158.1
[M-H]- 189.089424 148.2
[M+NH4]+ 208.130523 157.1
[M+K]+ 229.059858 151.0
[M+H-H2O]+ 173.093960 137.4
[M+HCOO]- 235.094901 168.1
[M+CH3COO]- 249.110551 157.5
[M+Na-2H]- 211.071366 153.7
[M]+ 190.09615142 146.2
[M]- 190.09724858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe