CID 92402

82560-06-3

Structural Information

Molecular Formula
C9H16N2O
SMILES
CCC(C)(CC)C1=NOC(=C1)N
InChI
InChI=1S/C9H16N2O/c1-4-9(3,5-2)7-6-8(10)12-11-7/h6H,4-5,10H2,1-3H3
InChIKey
DFDAEJDUOXMUQR-UHFFFAOYSA-N
Compound name
3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

18
Patents

168.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 138.3
[M+Na]+ 191.115488 146.2
[M-H]- 167.118994 141.0
[M+NH4]+ 186.160093 157.9
[M+K]+ 207.089428 145.8
[M+H-H2O]+ 151.123530 132.5
[M+HCOO]- 213.124471 160.4
[M+CH3COO]- 227.140121 181.6
[M+Na-2H]- 189.100936 144.4
[M]+ 168.12572142 139.5
[M]- 168.12681858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe