CID 43559667

1-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC(C)C1=NC(=NO1)C(C)N
InChI
InChI=1S/C7H13N3O/c1-4(2)7-9-6(5(3)8)10-11-7/h4-5H,8H2,1-3H3
InChIKey
XUWKBQYOBJYTSV-UHFFFAOYSA-N
Compound name
1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.10587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.113146 134.6
[M+Na]+ 178.095088 142.4
[M-H]- 154.098594 136.1
[M+NH4]+ 173.139693 153.1
[M+K]+ 194.069028 142.9
[M+H-H2O]+ 138.103130 127.5
[M+HCOO]- 200.104071 155.6
[M+CH3COO]- 214.119721 179.7
[M+Na-2H]- 176.080536 138.3
[M]+ 155.10532142 134.9
[M]- 155.10641858 134.9
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

No patent data available for this compound.