CID 53256287

1349702-28-8

Structural Information

Molecular Formula
C9H20N2
SMILES
CCC(CC)N1CC[C@@H](C1)N
InChI
InChI=1S/C9H20N2/c1-3-9(4-2)11-6-5-8(10)7-11/h8-9H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKey
RZQCGPVZOABCIU-QMMMGPOBSA-N
Compound name
(3S)-1-pentan-3-ylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.16264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 139.3
[M+Na]+ 179.15186 144.3
[M-H]- 155.15536 140.3
[M+NH4]+ 174.19646 160.2
[M+K]+ 195.12580 143.1
[M+H-H2O]+ 139.15990 132.7
[M+HCOO]- 201.16084 159.7
[M+CH3COO]- 215.17649 180.9
[M+Na-2H]- 177.13731 140.4
[M]+ 156.16209 135.4
[M]- 156.16319 135.4
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.