CID 87263201

1311458-36-2

Structural Information

Molecular Formula

C₁₁H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCCCNC

InChI

InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-6-8-12-4/h12H,5-9H2,1-4H3,(H,13,14)

InChIKey

BMLZYLJFEUKOOF-UHFFFAOYSA-N

Compound name

tert-butyl N-[5-(methylamino)pentyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 216.18378 Da
Monoisotopic Mass: 1.6
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]+	217.19106	155.2
[M+Na]+	239.17300	159.3
[M-H]-	215.17650	154.9
[M+NH4]+	234.21760	173.5
[M+K]+	255.14694	158.9
[M+H-H2O]+	199.18104	149.4
[M+HCOO]-	261.18198	177.6
[M+CH3COO]-	275.19763	194.3
[M+Na-2H]-	237.15845	159.5
[M]+	216.18323	157.5
[M]-	216.18433	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe