CID 16394817

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

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC1=C(C(=NO1)C)CCCN
InChI
InChI=1S/C8H14N2O/c1-6-8(4-3-5-9)7(2)11-10-6/h3-5,9H2,1-2H3
InChIKey
UUEBWEMWWZLONV-UHFFFAOYSA-N
Compound name
3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

154.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 133.4
[M+Na]+ 177.099828 142.2
[M-H]- 153.103334 136.2
[M+NH4]+ 172.144433 153.7
[M+K]+ 193.073768 141.6
[M+H-H2O]+ 137.107870 127.3
[M+HCOO]- 199.108811 157.3
[M+CH3COO]- 213.124461 179.4
[M+Na-2H]- 175.085276 138.5
[M]+ 154.11006142 135.1
[M]- 154.11115858 135.1
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