CID 12961670

3-amino-n-propylbenzamide

Structural Information

Molecular Formula
C10H14N2O
SMILES
CCCNC(=O)C1=CC(=CC=C1)N
InChI
InChI=1S/C10H14N2O/c1-2-6-12-10(13)8-4-3-5-9(11)7-8/h3-5,7H,2,6,11H2,1H3,(H,12,13)
InChIKey
XNOMKEXWIOBSHC-UHFFFAOYSA-N
Compound name
3-amino-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

178.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.5
[M+Na]+ 201.09983 145.7
[M-H]- 177.10333 142.7
[M+NH4]+ 196.14443 158.8
[M+K]+ 217.07377 143.5
[M+H-H2O]+ 161.10787 133.1
[M+HCOO]- 223.10881 164.6
[M+CH3COO]- 237.12446 185.9
[M+Na-2H]- 199.08528 144.6
[M]+ 178.11006 137.6
[M]- 178.11116 137.6
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