CID 69264020

1378817-39-0

Structural Information

Molecular Formula
C7H8N4
SMILES
C1=CNC2=NC=NC(=C21)CN
InChI
InChI=1S/C7H8N4/c8-3-6-5-1-2-9-7(5)11-4-10-6/h1-2,4H,3,8H2,(H,9,10,11)
InChIKey
GENSGNBACOVJPX-UHFFFAOYSA-N
Compound name
7H-pyrrolo[2,3-d]pyrimidin-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.07489 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 127.2
[M+Na]+ 171.06411 137.8
[M-H]- 147.06761 126.8
[M+NH4]+ 166.10871 146.5
[M+K]+ 187.03805 133.8
[M+H-H2O]+ 131.07215 119.8
[M+HCOO]- 193.07309 149.7
[M+CH3COO]- 207.08874 140.7
[M+Na-2H]- 169.04956 136.4
[M]+ 148.07434 125.9
[M]- 148.07544 125.9
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