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]+ 129.102236 124.2
[M+Na]+ 151.084178 132.7
[M-H]- 127.087684 127.0
[M+NH4]+ 146.128783 147.2
[M+K]+ 167.058118 133.1
[M+H-H2O]+ 111.092220 119.1
[M+HCOO]- 173.093161 147.4
[M+CH3COO]- 187.108811 172.0
[M+Na-2H]- 149.069626 131.4
[M]+ 128.09441142 123.7
[M]- 128.09550858 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.