CID 1861

90953-01-8

Structural Information

Molecular Formula
C8H10N4
SMILES
CN(C)C1=NC=NC2=C1C=CN2
InChI
InChI=1S/C8H10N4/c1-12(2)8-6-3-4-9-7(6)10-5-11-8/h3-5H,1-2H3,(H,9,10,11)
InChIKey
WCSPMWXRKVCSRS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

162.09055 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 131.8
[M+Na]+ 185.07977 142.0
[M-H]- 161.08327 133.2
[M+NH4]+ 180.12437 151.4
[M+K]+ 201.05371 139.5
[M+H-H2O]+ 145.08781 123.9
[M+HCOO]- 207.08875 155.0
[M+CH3COO]- 221.10440 145.6
[M+Na-2H]- 183.06522 140.7
[M]+ 162.09000 133.0
[M]- 162.09110 133.0
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