CID 18838

Heptanamide, n-methyl-

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCCCCC(=O)NC
InChI
InChI=1S/C8H17NO/c1-3-4-5-6-7-8(10)9-2/h3-7H2,1-2H3,(H,9,10)
InChIKey
PRCOHDSOXCGBAX-UHFFFAOYSA-N
Compound name
N-methylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

143.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.6
[M+Na]+ 166.12023 140.2
[M-H]- 142.12373 134.6
[M+NH4]+ 161.16483 156.0
[M+K]+ 182.09417 139.8
[M+H-H2O]+ 126.12827 129.5
[M+HCOO]- 188.12921 158.2
[M+CH3COO]- 202.14486 179.3
[M+Na-2H]- 164.10568 139.5
[M]+ 143.13046 135.8
[M]- 143.13156 135.8
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