CID 63301299

N-methyl-n-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-3-amine

Structural Information

Molecular Formula
C11H20N4O
SMILES
CC(C)C1=NC(=NO1)CN(C)C2CCNC2
InChI
InChI=1S/C11H20N4O/c1-8(2)11-13-10(14-16-11)7-15(3)9-4-5-12-6-9/h8-9,12H,4-7H2,1-3H3
InChIKey
JYGNWOJOJUJRKU-UHFFFAOYSA-N
Compound name
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.16371 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.170986 153.6
[M+Na]+ 247.152928 158.6
[M-H]- 223.156434 156.7
[M+NH4]+ 242.197533 169.4
[M+K]+ 263.126868 158.7
[M+H-H2O]+ 207.160970 144.7
[M+HCOO]- 269.161911 172.0
[M+CH3COO]- 283.177561 191.9
[M+Na-2H]- 245.138376 153.9
[M]+ 224.16316142 152.4
[M]- 224.16425858 152.4
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.