CID 3135654

2-amino-n-(oxolan-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CC(OC1)CNC(=O)C2=CC=CC=C2N
InChI
InChI=1S/C12H16N2O2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
InChIKey
GXJMUCRPBMVLOM-UHFFFAOYSA-N
Compound name
2-amino-N-(oxolan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

220.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.7
[M+Na]+ 243.11041 154.3
[M-H]- 219.11391 156.1
[M+NH4]+ 238.15501 167.3
[M+K]+ 259.08435 152.8
[M+H-H2O]+ 203.11845 142.6
[M+HCOO]- 265.11939 172.8
[M+CH3COO]- 279.13504 190.5
[M+Na-2H]- 241.09586 153.1
[M]+ 220.12064 146.0
[M]- 220.12174 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe