CID 124707122

4-chloro-2-cyclopropyl-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1CC1C2=NC3=C(C=CN3)C(=N2)Cl
InChI
InChI=1S/C9H8ClN3/c10-7-6-3-4-11-9(6)13-8(12-7)5-1-2-5/h3-5H,1-2H2,(H,11,12,13)
InChIKey
XNYAHSBCIYSJIK-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.04068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.047956 143.3
[M+Na]+ 216.029898 156.8
[M-H]- 192.033404 146.5
[M+NH4]+ 211.074503 157.1
[M+K]+ 232.003838 149.6
[M+H-H2O]+ 176.037940 135.4
[M+HCOO]- 238.038881 160.1
[M+CH3COO]- 252.054531 155.9
[M+Na-2H]- 214.015346 149.8
[M]+ 193.04013142 146.9
[M]- 193.04122858 146.9
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