CID 18738714

1135288-12-8

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CC(C)(C)CCNC

InChI

InChI=1S/C7H17N/c1-7(2,3)5-6-8-4/h8H,5-6H2,1-4H3

InChIKey

WAZBVLOECYSDDA-UHFFFAOYSA-N

Compound name

N,3,3-trimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 550
Patents: 115.1361 Da
Monoisotopic Mass: 1.9
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]+	116.14338	127.6
[M+Na]+	138.12532	134.1
[M-H]-	114.12882	128.1
[M+NH4]+	133.16992	150.5
[M+K]+	154.09926	134.1
[M+H-H2O]+	98.133360	123.5
[M+HCOO]-	160.13430	150.5
[M+CH3COO]-	174.14995	174.7
[M+Na-2H]-	136.11077	135.0
[M]+	115.13555	127.9
[M]-	115.13665	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe