CID 12183188

265987-99-3

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)N[C@H]1C[C@@H]1N

InChI

InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1

InChIKey

XDHLWTHTPXBYLH-WDSKDSINSA-N

Compound name

tert-butyl N-[(1S,2S)-2-aminocyclopropyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 172.12119 Da
Monoisotopic Mass: 0.3
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]+	173.12847	136.7
[M+Na]+	195.11041	144.9
[M-H]-	171.11391	141.2
[M+NH4]+	190.15501	152.0
[M+K]+	211.08435	143.0
[M+H-H2O]+	155.11845	131.4
[M+HCOO]-	217.11939	159.8
[M+CH3COO]-	231.13504	187.2
[M+Na-2H]-	193.09586	141.7
[M]+	172.12064	138.8
[M]-	172.12174	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe