CID 43559223

1803586-57-3

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=NC(=NO1)C(C)(C2CC2)N
InChI
InChI=1S/C8H13N3O/c1-5-10-7(11-12-5)8(2,9)6-3-4-6/h6H,3-4,9H2,1-2H3
InChIKey
NNCJALDCIBZIBQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

167.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 139.0
[M+Na]+ 190.095088 149.3
[M-H]- 166.098594 144.6
[M+NH4]+ 185.139693 152.4
[M+K]+ 206.069028 147.3
[M+H-H2O]+ 150.103130 131.9
[M+HCOO]- 212.104071 160.4
[M+CH3COO]- 226.119721 183.2
[M+Na-2H]- 188.080536 145.5
[M]+ 167.10532142 141.6
[M]- 167.10641858 141.6
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