CID 28063754

1177347-58-8

Structural Information

Molecular Formula
C7H13N3O2
SMILES
CNCC1=NC(=NO1)CCOC
InChI
InChI=1S/C7H13N3O2/c1-8-5-7-9-6(10-12-7)3-4-11-2/h8H,3-5H2,1-2H3
InChIKey
LWMRSQPVEFVWPC-UHFFFAOYSA-N
Compound name
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10077 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.10805 135.4
[M+Na]+ 194.08999 143.6
[M-H]- 170.09349 137.1
[M+NH4]+ 189.13459 153.5
[M+K]+ 210.06393 144.0
[M+H-H2O]+ 154.09803 127.9
[M+HCOO]- 216.09897 159.3
[M+CH3COO]- 230.11462 180.7
[M+Na-2H]- 192.07544 142.7
[M]+ 171.10022 139.4
[M]- 171.10132 139.4
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.