CID 56234

Butanoic acid, 4-((1-(cyanomethyl)-2-pyrrolidinylidene)amino)-, monohydrochloride

Structural Information

Molecular Formula
C10H16N3O2
SMILES
C1CC(=[N+](C1)CC#N)NCCCC(=O)O
InChI
InChI=1S/C10H15N3O2/c11-5-8-13-7-2-3-9(13)12-6-1-4-10(14)15/h1-4,6-8H2,(H,14,15)/p+1
InChIKey
UDDYTBNXHHDEDI-UHFFFAOYSA-O
Compound name
4-[[1-(cyanomethyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.12425 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13153 148.4
[M+Na]+ 233.11347 155.6
[M-H]- 209.11697 148.7
[M+NH4]+ 228.15807 164.3
[M+K]+ 249.08741 148.2
[M+H-H2O]+ 193.12151 137.2
[M+HCOO]- 255.12245 165.9
[M+CH3COO]- 269.13810 190.9
[M+Na-2H]- 231.09892 152.8
[M]+ 210.12370 141.2
[M]- 210.12480 141.2
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

No patent data available for this compound.