CID 40787016

914349-69-2

Structural Information

Molecular Formula
C9H12ClN3
SMILES
CC1=NC(=CC(=N1)Cl)N2CCCC2
InChI
InChI=1S/C9H12ClN3/c1-7-11-8(10)6-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKey
YIYFWZJPDQLOJK-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

197.07198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07926 142.0
[M+Na]+ 220.06120 151.2
[M-H]- 196.06470 144.3
[M+NH4]+ 215.10580 159.9
[M+K]+ 236.03514 147.0
[M+H-H2O]+ 180.06924 133.4
[M+HCOO]- 242.07018 157.1
[M+CH3COO]- 256.08583 154.4
[M+Na-2H]- 218.04665 145.8
[M]+ 197.07143 141.2
[M]- 197.07253 141.2
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