CID 83485256

1638765-18-0

Structural Information

Molecular Formula

C₉H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(=N)N

InChI

InChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-4-6(5-12)7(10)11/h6H,4-5H2,1-3H3,(H3,10,11)

InChIKey

WYLGGYXHNPYCNF-UHFFFAOYSA-N

Compound name

tert-butyl 3-carbamimidoylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 199.13208 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]+	200.13936	152.4
[M+Na]+	222.12130	155.8
[M-H]-	198.12480	153.8
[M+NH4]+	217.16590	162.9
[M+K]+	238.09524	158.7
[M+H-H2O]+	182.12934	140.1
[M+HCOO]-	244.13028	170.5
[M+CH3COO]-	258.14593	192.5
[M+Na-2H]-	220.10675	153.8
[M]+	199.13153	157.9
[M]-	199.13263	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe