CID 53916031

2241139-32-0

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1(CC(C1)(C)CN)C

InChI

InChI=1S/C8H17N/c1-7(2)4-8(3,5-7)6-9/h4-6,9H2,1-3H3

InChIKey

IHCOUJACXWEJLE-UHFFFAOYSA-N

Compound name

(1,3,3-trimethylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 127.1361 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]+	128.14338	130.5
[M+Na]+	150.12532	137.1
[M-H]-	126.12882	134.3
[M+NH4]+	145.16992	149.9
[M+K]+	166.09926	139.0
[M+H-H2O]+	110.13336	123.1
[M+HCOO]-	172.13430	152.2
[M+CH3COO]-	186.14995	179.3
[M+Na-2H]-	148.11077	136.8
[M]+	127.13555	137.5
[M]-	127.13665	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe