CID 24845570

93483-84-2

Structural Information

Molecular Formula
C9H21N4
SMILES
C[N+]1(CCCC1)CCCN=C(N)N
InChI
InChI=1S/C9H21N4/c1-13(6-2-3-7-13)8-4-5-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)/q+1
InChIKey
SVYYPUHOVROWDZ-UHFFFAOYSA-N
Compound name
2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.17662 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.183896 138.5
[M+Na]+ 208.165838 142.4
[M-H]- 184.169344 140.6
[M+NH4]+ 203.210443 159.6
[M+K]+ 224.139778 135.8
[M+H-H2O]+ 168.173880 134.6
[M+HCOO]- 230.174821 161.7
[M+CH3COO]- 244.190471 182.6
[M+Na-2H]- 206.151286 144.7
[M]+ 185.17607142 131.5
[M]- 185.17716858 131.5
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.