CID 25220779

1000896-85-4

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=NOC(=C1)CNC

InChI

InChI=1S/C6H10N2O/c1-5-3-6(4-7-2)9-8-5/h3,7H,4H2,1-2H3

InChIKey

UQKWKRSUELRKSK-UHFFFAOYSA-N

Compound name

N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 126.079315 Da
Monoisotopic Mass: 0.2
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]+	127.086591	123.7
[M+Na]+	149.068533	132.4
[M-H]-	125.072039	127.0
[M+NH4]+	144.113138	145.0
[M+K]+	165.042473	132.7
[M+H-H2O]+	109.076575	117.6
[M+HCOO]-	171.077516	148.9
[M+CH3COO]-	185.093166	172.8
[M+Na-2H]-	147.053981	131.6
[M]+	126.07876642	125.3
[M]-	126.07986358	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe