CID 45117960

1-(3-cyclobutyl-1,2-oxazol-5-yl)methanaminehydrochloride

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1CC(C1)C2=NOC(=C2)CN
InChI
InChI=1S/C8H12N2O/c9-5-7-4-8(10-11-7)6-2-1-3-6/h4,6H,1-3,5,9H2
InChIKey
YVZQOQHPCWUCPO-UHFFFAOYSA-N
Compound name
(3-cyclobutyl-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

152.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 126.7
[M+Na]+ 175.08418 132.5
[M-H]- 151.08768 132.2
[M+NH4]+ 170.12878 139.9
[M+K]+ 191.05812 135.1
[M+H-H2O]+ 135.09222 115.0
[M+HCOO]- 197.09316 148.9
[M+CH3COO]- 211.10881 179.8
[M+Na-2H]- 173.06963 132.3
[M]+ 152.09441 133.9
[M]- 152.09551 133.9
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