CID 16781670

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

Structural Information

Molecular Formula
C8H18N2
SMILES
CCC(CN)N1CCCC1
InChI
InChI=1S/C8H18N2/c1-2-8(7-9)10-5-3-4-6-10/h8H,2-7,9H2,1H3
InChIKey
WMFCMIRCRKQLRO-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

142.147 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.154276 135.0
[M+Na]+ 165.136218 139.5
[M-H]- 141.139724 135.8
[M+NH4]+ 160.180823 156.1
[M+K]+ 181.110158 138.6
[M+H-H2O]+ 125.144260 128.3
[M+HCOO]- 187.145201 155.7
[M+CH3COO]- 201.160851 176.8
[M+Na-2H]- 163.121666 137.3
[M]+ 142.14645142 130.3
[M]- 142.14754858 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