CID 4582973

791831-18-0

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCC(CO)NC(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C12H17NO2/c1-3-11(8-14)13-12(15)10-6-4-9(2)5-7-10/h4-7,11,14H,3,8H2,1-2H3,(H,13,15)
InChIKey
BQADMKZKMUYENW-UHFFFAOYSA-N
Compound name
N-(1-hydroxybutan-2-yl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.2
[M+Na]+ 230.11515 153.7
[M-H]- 206.11865 150.3
[M+NH4]+ 225.15975 166.2
[M+K]+ 246.08909 151.6
[M+H-H2O]+ 190.12319 142.0
[M+HCOO]- 252.12413 170.0
[M+CH3COO]- 266.13978 188.0
[M+Na-2H]- 228.10060 151.3
[M]+ 207.12538 147.7
[M]- 207.12648 147.7
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.