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

875
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

literature stripe

Patent stripe

patents stripe