CID 84670908

1601241-99-9

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C10H22N2O2/c1-8(11)6-7-12(5)9(13)14-10(2,3)4/h8H,6-7,11H2,1-5H3

InChIKey

QYTUTPWBOBZEPQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-aminobutyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 202.16812 Da
Monoisotopic Mass: 1.0
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]+	203.17540	149.8
[M+Na]+	225.15734	156.1
[M+NH4]+	220.20194	155.7
[M+K]+	241.13128	153.5
[M-H]-	201.16084	148.5
[M+Na-2H]-	223.14279	151.1
[M]+	202.16757	149.9
[M]-	202.16867	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe