CID 20729516

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

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC1C2=NOC(=N2)CN
InChI
InChI=1S/C6H9N3O/c7-3-5-8-6(9-10-5)4-1-2-4/h4H,1-3,7H2
InChIKey
QIKHXVOOIAHGOB-UHFFFAOYSA-N
Compound name
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

139.07455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 130.1
[M+Na]+ 162.063768 140.9
[M-H]- 138.067274 135.7
[M+NH4]+ 157.108373 144.4
[M+K]+ 178.037708 138.9
[M+H-H2O]+ 122.071810 122.5
[M+HCOO]- 184.072751 153.7
[M+CH3COO]- 198.088401 177.1
[M+Na-2H]- 160.049216 136.9
[M]+ 139.07400142 132.4
[M]- 139.07509858 132.4
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

patents stripe