CID 565861

321392-83-0

Structural Information

Molecular Formula
C4H7N3O
SMILES
CC1=NON=C1CN
InChI
InChI=1S/C4H7N3O/c1-3-4(2-5)7-8-6-3/h2,5H2,1H3
InChIKey
YKTPXKSUWIQBML-UHFFFAOYSA-N
Compound name
(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

113.058914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 119.2
[M+Na]+ 136.048132 128.8
[M-H]- 112.051638 120.9
[M+NH4]+ 131.092737 139.5
[M+K]+ 152.022072 129.2
[M+H-H2O]+ 96.056174 112.5
[M+HCOO]- 158.057115 143.2
[M+CH3COO]- 172.072765 168.8
[M+Na-2H]- 134.033580 127.0
[M]+ 113.05836542 119.6
[M]- 113.05946258 119.6
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