CID 59401

102504-33-6

Structural Information

Molecular Formula
C13H19N3O
SMILES
CCCCNCC1=NN(CO1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N3O/c1-2-3-9-14-10-13-15-16(11-17-13)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKey
JRQAMJIHIAHGQP-UHFFFAOYSA-N
Compound name
N-[(3-phenyl-2H-1,3,4-oxadiazol-5-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 154.1
[M+Na]+ 256.142038 160.1
[M-H]- 232.145544 158.1
[M+NH4]+ 251.186643 169.2
[M+K]+ 272.115978 157.9
[M+H-H2O]+ 216.150080 145.0
[M+HCOO]- 278.151021 175.8
[M+CH3COO]- 292.166671 192.6
[M+Na-2H]- 254.127486 159.5
[M]+ 233.15227142 154.8
[M]- 233.15336858 154.8
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.