CID 57635730

1041345-05-4

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

CC(=O)NCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C10H20N2O3/c1-8(13)11-6-5-7-12-9(14)15-10(2,3)4/h5-7H2,1-4H3,(H,11,13)(H,12,14)

InChIKey

UURMRXVNPHJYPC-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-acetamidopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 216.1474 Da
Monoisotopic Mass: 0.6
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]+	217.15468	152.2
[M+Na]+	239.13662	156.8
[M-H]-	215.14012	152.3
[M+NH4]+	234.18122	170.4
[M+K]+	255.11056	157.2
[M+H-H2O]+	199.14466	146.7
[M+HCOO]-	261.14560	174.4
[M+CH3COO]-	275.16125	192.6
[M+Na-2H]-	237.12207	155.9
[M]+	216.14685	154.2
[M]-	216.14795	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe