CID 92180

2365-40-4

Structural Information

Molecular Formula
C10H13N5
SMILES
CC(=CCNC1=NC=NC2=C1NC=N2)C
InChI
InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKey
HYVABZIGRDEKCD-UHFFFAOYSA-N
Compound name
N-(3-methylbut-2-enyl)-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

91
References

18780
Patents

203.1171 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.124376 145.5
[M+Na]+ 226.106318 154.8
[M-H]- 202.109824 143.9
[M+NH4]+ 221.150923 161.3
[M+K]+ 242.080258 150.1
[M+H-H2O]+ 186.114360 136.8
[M+HCOO]- 248.115301 165.3
[M+CH3COO]- 262.130951 157.0
[M+Na-2H]- 224.091766 152.8
[M]+ 203.11655142 145.3
[M]- 203.11764858 145.3
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