CID 10844548

(3-methyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C4H7N3O
SMILES
CC1=NOC(=N1)CN
InChI
InChI=1S/C4H7N3O/c1-3-6-4(2-5)8-7-3/h2,5H2,1H3
InChIKey
NPBUMVMXXGQOEG-UHFFFAOYSA-N
Compound name
(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

113.058914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 119.2
[M+Na]+ 136.04813 128.8
[M-H]- 112.05164 120.9
[M+NH4]+ 131.09274 139.5
[M+K]+ 152.02207 129.2
[M+H-H2O]+ 96.056174 112.5
[M+HCOO]- 158.05712 143.2
[M+CH3COO]- 172.07276 168.8
[M+Na-2H]- 134.03358 127.0
[M]+ 113.05837 119.6
[M]- 113.05946 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