CID 6484668

1-(pyrrolidin-1-yl)butan-2-amine

Structural Information

Molecular Formula
C8H18N2
SMILES
CCC(CN1CCCC1)N
InChI
InChI=1S/C8H18N2/c1-2-8(9)7-10-5-3-4-6-10/h8H,2-7,9H2,1H3
InChIKey
JGFPTUFHGRZOJJ-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.147 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.15428 135.0
[M+Na]+ 165.13622 139.5
[M-H]- 141.13972 135.8
[M+NH4]+ 160.18082 156.1
[M+K]+ 181.11016 138.6
[M+H-H2O]+ 125.14426 128.3
[M+HCOO]- 187.14520 155.7
[M+CH3COO]- 201.16085 176.8
[M+Na-2H]- 163.12167 137.3
[M]+ 142.14645 130.3
[M]- 142.14755 130.3
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