CID 25220772

942519-65-5

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)C1=NOC(=C1)CNC
InChI
InChI=1S/C8H14N2O/c1-6(2)8-4-7(5-9-3)11-10-8/h4,6,9H,5H2,1-3H3
InChIKey
BYGUSSATSGHWCD-UHFFFAOYSA-N
Compound name
N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 134.0
[M+Na]+ 177.09983 141.5
[M-H]- 153.10333 137.1
[M+NH4]+ 172.14443 154.2
[M+K]+ 193.07377 141.8
[M+H-H2O]+ 137.10787 127.6
[M+HCOO]- 199.10881 157.6
[M+CH3COO]- 213.12446 179.7
[M+Na-2H]- 175.08528 139.6
[M]+ 154.11006 135.7
[M]- 154.11116 135.7
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