CID 23006348

1-(dimethyl-1,2-oxazol-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC1=C(C(=NO1)C)C(C)N
InChI
InChI=1S/C7H12N2O/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3
InChIKey
FZJLBPYJNDDVPQ-UHFFFAOYSA-N
Compound name
1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.4
[M+Na]+ 163.08418 138.4
[M-H]- 139.08768 132.6
[M+NH4]+ 158.12878 150.2
[M+K]+ 179.05812 138.5
[M+H-H2O]+ 123.09222 123.6
[M+HCOO]- 185.09316 152.7
[M+CH3COO]- 199.10881 177.2
[M+Na-2H]- 161.06963 133.8
[M]+ 140.09441 130.1
[M]- 140.09551 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe