CID 80503403

2-methyl-4-(pyrrolidin-3-yl)pyrimidine

Structural Information

Molecular Formula
C9H13N3
SMILES
CC1=NC=CC(=N1)C2CCNC2
InChI
InChI=1S/C9H13N3/c1-7-11-5-3-9(12-7)8-2-4-10-6-8/h3,5,8,10H,2,4,6H2,1H3
InChIKey
RKMRZRYZJSRHBK-UHFFFAOYSA-N
Compound name
2-methyl-4-pyrrolidin-3-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.11095 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 135.9
[M+Na]+ 186.10017 143.2
[M-H]- 162.10367 136.9
[M+NH4]+ 181.14477 153.4
[M+K]+ 202.07411 139.9
[M+H-H2O]+ 146.10821 127.4
[M+HCOO]- 208.10915 154.4
[M+CH3COO]- 222.12480 147.9
[M+Na-2H]- 184.08562 140.7
[M]+ 163.11040 131.2
[M]- 163.11150 131.2
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

No patent data available for this compound.