CID 18331994

Tert-amyl-tert-octylamine

Structural Information

Molecular Formula

C₁₃H₂₉N

SMILES

CCC(C)(C)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C13H29N/c1-9-12(5,6)14-13(7,8)10-11(2,3)4/h14H,9-10H2,1-8H3

InChIKey

RMRFHMLPQSZGLP-UHFFFAOYSA-N

Compound name

2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 199.23 Da
Monoisotopic Mass: 4.0
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]+	200.23728	152.7
[M+Na]+	222.21922	157.7
[M-H]-	198.22272	152.8
[M+NH4]+	217.26382	172.5
[M+K]+	238.19316	157.0
[M+H-H2O]+	182.22726	148.9
[M+HCOO]-	244.22820	170.6
[M+CH3COO]-	258.24385	194.0
[M+Na-2H]-	220.20467	158.7
[M]+	199.22945	154.3
[M]-	199.23055	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe