CID 16768146

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

Structural Information

Molecular Formula
C6H11N3O
SMILES
CC1=NOC(=N1)CCCN
InChI
InChI=1S/C6H11N3O/c1-5-8-6(10-9-5)3-2-4-7/h2-4,7H2,1H3
InChIKey
YEKKCMQUYOKDQD-UHFFFAOYSA-N
Compound name
3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

141.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.097486 128.5
[M+Na]+ 164.079428 137.2
[M-H]- 140.082934 129.8
[M+NH4]+ 159.124033 147.6
[M+K]+ 180.053368 137.0
[M+H-H2O]+ 124.087470 121.4
[M+HCOO]- 186.088411 151.8
[M+CH3COO]- 200.104061 174.9
[M+Na-2H]- 162.064876 135.2
[M]+ 141.08966142 129.6
[M]- 141.09075858 129.6
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