CID 17868293

123183-72-2

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(5)8-6-7-11-4/h11H,6-8H2,1-5H3

InChIKey

QRXUKURKZNOVAF-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-[3-(methylamino)propyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
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]+	203.175396	150.4
[M+Na]+	225.157338	155.1
[M-H]-	201.160844	151.9
[M+NH4]+	220.201943	170.0
[M+K]+	241.131278	156.4
[M+H-H2O]+	185.165380	144.8
[M+HCOO]-	247.166321	173.6
[M+CH3COO]-	261.181971	194.7
[M+Na-2H]-	223.142786	154.5
[M]+	202.16757142	153.6
[M]-	202.16866858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe