CID 25220800

(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H12N2O
SMILES
CCC1=NOC(C1)CN
InChI
InChI=1S/C6H12N2O/c1-2-5-3-6(4-7)9-8-5/h6H,2-4,7H2,1H3
InChIKey
OSTRPKKMBVWFFI-UHFFFAOYSA-N
Compound name
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.09496 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 126.0
[M+Na]+ 151.08418 133.7
[M-H]- 127.08768 128.4
[M+NH4]+ 146.12878 146.9
[M+K]+ 167.05812 133.8
[M+H-H2O]+ 111.09222 119.9
[M+HCOO]- 173.09316 149.2
[M+CH3COO]- 187.10881 172.5
[M+Na-2H]- 149.06963 131.9
[M]+ 128.09441 125.2
[M]- 128.09551 125.2
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

No patent data available for this compound.