CID 23006261

2260932-21-4

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)CC1=CC(=NO1)CN
InChI
InChI=1S/C8H14N2O/c1-6(2)3-8-4-7(5-9)10-11-8/h4,6H,3,5,9H2,1-2H3
InChIKey
HGYSMQSHSYGZGG-UHFFFAOYSA-N
Compound name
[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

154.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 134.4
[M+Na]+ 177.09983 142.0
[M-H]- 153.10333 137.0
[M+NH4]+ 172.14443 154.3
[M+K]+ 193.07377 141.9
[M+H-H2O]+ 137.10787 128.0
[M+HCOO]- 199.10881 157.4
[M+CH3COO]- 213.12446 179.1
[M+Na-2H]- 175.08528 138.9
[M]+ 154.11006 135.1
[M]- 154.11116 135.1
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

patents stripe