CID 126615

N(6)-endonorbornan-2-yl-9-methyladenine

Structural Information

Molecular Formula
C13H17N5
SMILES
CN1C=NC2=C(N=CN=C21)N[C@@H]3C[C@@H]4CC[C@H]3C4
InChI
InChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)/t8-,9+,10-/m1/s1
InChIKey
MTQYIGCUBBMQCJ-KXUCPTDWSA-N
Compound name
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-9-methylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

18
Patents

243.14839 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15567 153.4
[M+Na]+ 266.13761 162.9
[M-H]- 242.14111 156.6
[M+NH4]+ 261.18221 173.4
[M+K]+ 282.11155 159.1
[M+H-H2O]+ 226.14565 144.9
[M+HCOO]- 288.14659 173.0
[M+CH3COO]- 302.16224 165.5
[M+Na-2H]- 264.12306 156.0
[M]+ 243.14784 154.3
[M]- 243.14894 154.3
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