CID 12240395

34317-21-0

Structural Information

Molecular Formula
C11H15NO
SMILES
CCC(=O)N(C)CC1=CC=CC=C1
InChI
InChI=1S/C11H15NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKey
CKORWAOHDWGJAA-UHFFFAOYSA-N
Compound name
N-benzyl-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 139.8
[M+Na]+ 200.10459 145.8
[M-H]- 176.10809 144.6
[M+NH4]+ 195.14919 160.3
[M+K]+ 216.07853 145.2
[M+H-H2O]+ 160.11263 133.4
[M+HCOO]- 222.11357 164.7
[M+CH3COO]- 236.12922 187.0
[M+Na-2H]- 198.09004 145.3
[M]+ 177.11482 141.0
[M]- 177.11592 141.0
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