CID 12060862

N-(4-aminobutylpyrrolinium) ion

Structural Information

Molecular Formula
C8H17N2
SMILES
C1CC=[N+](C1)CCCCN
InChI
InChI=1S/C8H17N2/c9-5-1-2-6-10-7-3-4-8-10/h7H,1-6,8-9H2/q+1
InChIKey
PSISLYNHYRYJFB-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.13918 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.14646 132.1
[M+Na]+ 164.12840 137.9
[M-H]- 140.13190 133.5
[M+NH4]+ 159.17300 153.2
[M+K]+ 180.10234 131.0
[M+H-H2O]+ 124.13644 128.2
[M+HCOO]- 186.13738 155.1
[M+CH3COO]- 200.15303 169.0
[M+Na-2H]- 162.11385 139.1
[M]+ 141.13863 128.3
[M]- 141.13973 128.3
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

No patent data available for this compound.