CID 71757345

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

Structural Information

Molecular Formula
C8H14N2O
SMILES
CCC(C1=C(ON=C1C)C)N
InChI
InChI=1S/C8H14N2O/c1-4-7(9)8-5(2)10-11-6(8)3/h7H,4,9H2,1-3H3
InChIKey
YFFYOGPQXYFJPB-UHFFFAOYSA-N
Compound name
1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 134.1
[M+Na]+ 177.099828 142.7
[M-H]- 153.103334 137.2
[M+NH4]+ 172.144433 154.4
[M+K]+ 193.073768 142.5
[M+H-H2O]+ 137.107870 128.1
[M+HCOO]- 199.108811 157.1
[M+CH3COO]- 213.124461 180.2
[M+Na-2H]- 175.085276 138.0
[M]+ 154.11006142 135.3
[M]- 154.11115858 135.3
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