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

35
Patents

162.09055 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.097826 131.8
[M+Na]+ 185.079768 142.0
[M-H]- 161.083274 133.2
[M+NH4]+ 180.124373 151.4
[M+K]+ 201.053708 139.5
[M+H-H2O]+ 145.087810 123.9
[M+HCOO]- 207.088751 155.0
[M+CH3COO]- 221.104401 145.6
[M+Na-2H]- 183.065216 140.7
[M]+ 162.09000142 133.0
[M]- 162.09109858 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