CID 53420003

1384428-47-0

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCCC1C(=N)N

InChI

InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-6-4-5-7(13)8(11)12/h7H,4-6H2,1-3H3,(H3,11,12)

InChIKey

ZCUQKBLYCPKOJS-UHFFFAOYSA-N

Compound name

tert-butyl 2-carbamimidoylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.14772 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.154996	151.0
[M+Na]+	236.136938	155.6
[M-H]-	212.140444	152.5
[M+NH4]+	231.181543	169.3
[M+K]+	252.110878	154.9
[M+H-H2O]+	196.144980	144.7
[M+HCOO]-	258.145921	170.5
[M+CH3COO]-	272.161571	190.5
[M+Na-2H]-	234.122386	151.9
[M]+	213.14717142	146.9
[M]-	213.14826858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe