CID 5289474

N1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1,2-a] pyrimidine

Structural Information

Molecular Formula
C13H27N3
SMILES
CC(C)C[C@@H](CN1CCCN2[C@H]1CCC2)N
InChI
InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1
InChIKey
SOQLOPQBSFMPNJ-QWHCGFSZSA-N
Compound name
(2S)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl]-4-methylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.2205 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.22778 159.2
[M+Na]+ 248.20972 161.6
[M-H]- 224.21322 158.7
[M+NH4]+ 243.25432 176.7
[M+K]+ 264.18366 159.4
[M+H-H2O]+ 208.21776 151.2
[M+HCOO]- 270.21870 173.0
[M+CH3COO]- 284.23435 194.6
[M+Na-2H]- 246.19517 158.0
[M]+ 225.21995 152.7
[M]- 225.22105 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.