CID 79503

N-isopropylbenzamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CC(C)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H13NO/c1-8(2)11-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChIKey
INOVPKZAEASFME-UHFFFAOYSA-N
Compound name
N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1123
Patents

163.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 135.7
[M+Na]+ 186.08894 141.7
[M-H]- 162.09244 139.3
[M+NH4]+ 181.13354 156.0
[M+K]+ 202.06288 140.4
[M+H-H2O]+ 146.09698 129.7
[M+HCOO]- 208.09792 159.4
[M+CH3COO]- 222.11357 181.3
[M+Na-2H]- 184.07439 141.2
[M]+ 163.09917 134.6
[M]- 163.10027 134.6
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