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

3
Patents

148.07489 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 127.2
[M+Na]+ 171.064108 137.8
[M-H]- 147.067614 126.8
[M+NH4]+ 166.108713 146.5
[M+K]+ 187.038048 133.8
[M+H-H2O]+ 131.072150 119.8
[M+HCOO]- 193.073091 149.7
[M+CH3COO]- 207.088741 140.7
[M+Na-2H]- 169.049556 136.4
[M]+ 148.07434142 125.9
[M]- 148.07543858 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