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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 123.7
[M+Na]+ 149.06853 132.4
[M-H]- 125.07204 127.0
[M+NH4]+ 144.11314 145.0
[M+K]+ 165.04247 132.7
[M+H-H2O]+ 109.07658 117.6
[M+HCOO]- 171.07752 148.9
[M+CH3COO]- 185.09317 172.8
[M+Na-2H]- 147.05398 131.6
[M]+ 126.07877 125.3
[M]- 126.07986 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe