CID 29034450

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline hydrochloride

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1CC1C2=NOC(=N2)CC3=CC=C(C=C3)N
InChI
InChI=1S/C12H13N3O/c13-10-5-1-8(2-6-10)7-11-14-12(15-16-11)9-3-4-9/h1-2,5-6,9H,3-4,7,13H2
InChIKey
XSXAZFKUERDUAJ-UHFFFAOYSA-N
Compound name
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.10587 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 147.9
[M+Na]+ 238.095088 158.5
[M-H]- 214.098594 156.4
[M+NH4]+ 233.139693 159.2
[M+K]+ 254.069028 154.7
[M+H-H2O]+ 198.103130 139.5
[M+HCOO]- 260.104071 171.3
[M+CH3COO]- 274.119721 160.7
[M+Na-2H]- 236.080536 153.3
[M]+ 215.10532142 150.3
[M]- 215.10641858 150.3
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