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

9
Patents

154.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 133.4
[M+Na]+ 177.09983 142.2
[M-H]- 153.10333 136.2
[M+NH4]+ 172.14443 153.7
[M+K]+ 193.07377 141.6
[M+H-H2O]+ 137.10787 127.3
[M+HCOO]- 199.10881 157.3
[M+CH3COO]- 213.12446 179.4
[M+Na-2H]- 175.08528 138.5
[M]+ 154.11006 135.1
[M]- 154.11116 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