CID 6484232

1185300-37-1

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CCCC1=NOC(=C1)CN

InChI

InChI=1S/C7H12N2O/c1-2-3-6-4-7(5-8)10-9-6/h4H,2-3,5,8H2,1H3

InChIKey

TZCRWPITAFJCIG-UHFFFAOYSA-N

Compound name

(3-propyl-1,2-oxazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 140.09496 Da
Monoisotopic Mass: 0.5
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]+	141.10224	128.7
[M+Na]+	163.08418	137.0
[M-H]-	139.08768	131.4
[M+NH4]+	158.12878	149.3
[M+K]+	179.05812	136.7
[M+H-H2O]+	123.09222	122.5
[M+HCOO]-	185.09316	153.1
[M+CH3COO]-	199.10881	175.2
[M+Na-2H]-	161.06963	135.1
[M]+	140.09441	129.7
[M]-	140.09551	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe