CID 19752057

2036-24-0

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1(CCCC1(C)N)C

InChI

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

InChIKey

ZCCHMDYEMIBZTP-UHFFFAOYSA-N

Compound name

1,2,2-trimethylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
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	126.4
[M+Na]+	150.12532	134.1
[M-H]-	126.12882	129.9
[M+NH4]+	145.16992	154.0
[M+K]+	166.09926	132.9
[M+H-H2O]+	110.13336	123.2
[M+HCOO]-	172.13430	149.5
[M+CH3COO]-	186.14995	173.8
[M+Na-2H]-	148.11077	132.0
[M]+	127.13555	123.0
[M]-	127.13665	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe