CID 2117533

749902-10-1

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)(C)CC1=NOC(=C1)N
InChI
InChI=1S/C8H14N2O/c1-8(2,3)5-6-4-7(9)11-10-6/h4H,5,9H2,1-3H3
InChIKey
YHCHATDVXPJZKU-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

41
Patents

154.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 133.8
[M+Na]+ 177.09983 142.2
[M-H]- 153.10333 136.7
[M+NH4]+ 172.14443 154.1
[M+K]+ 193.07377 142.1
[M+H-H2O]+ 137.10787 128.2
[M+HCOO]- 199.10881 156.3
[M+CH3COO]- 213.12446 177.9
[M+Na-2H]- 175.08528 140.4
[M]+ 154.11006 134.6
[M]- 154.11116 134.6
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