CID 76024

N-butylbenzamide

Structural Information

Molecular Formula
C11H15NO
SMILES
CCCCNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChIKey
BAULSHLTGVOYKM-UHFFFAOYSA-N
Compound name
N-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1119
Patents

177.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 140.0
[M+Na]+ 200.10459 145.7
[M-H]- 176.10809 143.2
[M+NH4]+ 195.14919 159.7
[M+K]+ 216.07853 143.7
[M+H-H2O]+ 160.11263 133.6
[M+HCOO]- 222.11357 164.4
[M+CH3COO]- 236.12922 183.5
[M+Na-2H]- 198.09004 146.1
[M]+ 177.11482 139.9
[M]- 177.11592 139.9
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.