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]+ 198.079256 142.0
[M+Na]+ 220.061198 151.2
[M-H]- 196.064704 144.3
[M+NH4]+ 215.105803 159.9
[M+K]+ 236.035138 147.0
[M+H-H2O]+ 180.069240 133.4
[M+HCOO]- 242.070181 157.1
[M+CH3COO]- 256.085831 154.4
[M+Na-2H]- 218.046646 145.8
[M]+ 197.07143142 141.2
[M]- 197.07252858 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