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

30
Patents

167.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 139.0
[M+Na]+ 190.09509 149.3
[M-H]- 166.09859 144.6
[M+NH4]+ 185.13969 152.4
[M+K]+ 206.06903 147.3
[M+H-H2O]+ 150.10313 131.9
[M+HCOO]- 212.10407 160.4
[M+CH3COO]- 226.11972 183.2
[M+Na-2H]- 188.08054 145.5
[M]+ 167.10532 141.6
[M]- 167.10642 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