CID 19755956

74512-24-6

Structural Information

Molecular Formula

C₂₂H₄₇N

SMILES

CCCCCCCCCCCCCCCCCCCC(C)(C)N

InChI

InChI=1S/C22H47N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)23/h4-21,23H2,1-3H3

InChIKey

YQMSJAXVJVDRSO-UHFFFAOYSA-N

Compound name

2-methylhenicosan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 325.37085 Da
Monoisotopic Mass: 9.8
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]+	326.37813	195.5
[M+Na]+	348.36007	195.7
[M-H]-	324.36357	192.5
[M+NH4]+	343.40467	209.6
[M+K]+	364.33401	191.3
[M+H-H2O]+	308.36811	188.4
[M+HCOO]-	370.36905	212.9
[M+CH3COO]-	384.38470	220.1
[M+Na-2H]-	346.34552	193.9
[M]+	325.37030	200.6
[M]-	325.37140	200.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe