CID 65017151

2243506-05-8

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC(C)C1CC(C1)CN

InChI

InChI=1S/C8H17N/c1-6(2)8-3-7(4-8)5-9/h6-8H,3-5,9H2,1-2H3

InChIKey

IGCDLJICVQUWJS-UHFFFAOYSA-N

Compound name

(3-propan-2-ylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	128.143376	131.6
[M+Na]+	150.125318	136.1
[M-H]-	126.128824	134.5
[M+NH4]+	145.169923	146.9
[M+K]+	166.099258	138.4
[M+H-H2O]+	110.133360	121.2
[M+HCOO]-	172.134301	152.3
[M+CH3COO]-	186.149951	180.7
[M+Na-2H]-	148.110766	134.3
[M]+	127.13555142	137.2
[M]-	127.13664858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe