CID 76127358

2-n-boc-hexane-1,2-diamine

Structural Information

Molecular Formula

C₁₁H₂₄N₂O₂

SMILES

CCCCC(CN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H24N2O2/c1-5-6-7-9(8-12)13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)

InChIKey

WTRFQXAZKVGHBD-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-aminohexan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 216.18378 Da
Monoisotopic Mass: 1.8
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	155.9
[M+Na]+	239.17300	159.7
[M-H]-	215.17650	155.1
[M+NH4]+	234.21760	173.9
[M+K]+	255.14694	159.6
[M+H-H2O]+	199.18104	150.2
[M+HCOO]-	261.18198	176.6
[M+CH3COO]-	275.19763	194.5
[M+Na-2H]-	237.15845	157.8
[M]+	216.18323	156.5
[M]-	216.18433	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe