CID 12829008

[(2s)-1-butylpyrrolidin-2-yl]methanamine

Structural Information

Molecular Formula
C9H20N2
SMILES
CCCCN1CCC[C@H]1CN
InChI
InChI=1S/C9H20N2/c1-2-3-6-11-7-4-5-9(11)8-10/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKey
VRKXUSCKISXSIH-VIFPVBQESA-N
Compound name
[(2S)-1-butylpyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

156.16264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 138.4
[M+Na]+ 179.15186 143.7
[M-H]- 155.15536 139.4
[M+NH4]+ 174.19646 159.4
[M+K]+ 195.12580 142.1
[M+H-H2O]+ 139.15990 131.8
[M+HCOO]- 201.16084 159.8
[M+CH3COO]- 215.17649 180.1
[M+Na-2H]- 177.13731 140.8
[M]+ 156.16209 135.2
[M]- 156.16319 135.2
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

patents stripe