CID 55285864

2649017-07-0

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1(CC(=NO1)CN)C
InChI
InChI=1S/C6H12N2O/c1-6(2)3-5(4-7)8-9-6/h3-4,7H2,1-2H3
InChIKey
JBFDQWSJHZEMIB-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-4H-1,2-oxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 124.2
[M+Na]+ 151.08418 132.7
[M-H]- 127.08768 127.0
[M+NH4]+ 146.12878 147.2
[M+K]+ 167.05812 133.1
[M+H-H2O]+ 111.09222 119.1
[M+HCOO]- 173.09316 147.4
[M+CH3COO]- 187.10881 172.0
[M+Na-2H]- 149.06963 131.4
[M]+ 128.09441 123.7
[M]- 128.09551 123.7
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.