CID 45602021

1609407-96-6

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC(C)C1=NOC(C1)CN
InChI
InChI=1S/C7H14N2O/c1-5(2)7-3-6(4-8)10-9-7/h5-6H,3-4,8H2,1-2H3
InChIKey
YGWFIJQFVZPVGH-UHFFFAOYSA-N
Compound name
(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 131.6
[M+Na]+ 165.099828 138.6
[M-H]- 141.103334 134.0
[M+NH4]+ 160.144433 151.9
[M+K]+ 181.073768 138.9
[M+H-H2O]+ 125.107870 125.4
[M+HCOO]- 187.108811 153.4
[M+CH3COO]- 201.124461 176.4
[M+Na-2H]- 163.085276 135.7
[M]+ 142.11006142 130.5
[M]- 142.11115858 130.5
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.