CID 43110394

1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC(C1=NC(=NO1)CC2=CC=CC=C2)N
InChI
InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKey
TXLVGLOXMNZBCL-UHFFFAOYSA-N
Compound name
1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 144.6
[M+Na]+ 226.095088 152.4
[M-H]- 202.098594 149.1
[M+NH4]+ 221.139693 160.8
[M+K]+ 242.069028 150.5
[M+H-H2O]+ 186.103130 136.2
[M+HCOO]- 248.104071 166.9
[M+CH3COO]- 262.119721 186.4
[M+Na-2H]- 224.080536 149.9
[M]+ 203.10532142 144.5
[M]- 203.10641858 144.5
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.