CID 324200

6-acrylamidohexanoic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
C=CC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C9H15NO3/c1-2-8(11)10-7-5-3-4-6-9(12)13/h2H,1,3-7H2,(H,10,11)(H,12,13)
InChIKey
SAQWCPXBLNGTCC-UHFFFAOYSA-N
Compound name
6-(prop-2-enoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1099
Patents

185.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 142.8
[M+Na]+ 208.09442 147.9
[M-H]- 184.09792 141.2
[M+NH4]+ 203.13902 161.4
[M+K]+ 224.06836 146.4
[M+H-H2O]+ 168.10246 137.4
[M+HCOO]- 230.10340 164.5
[M+CH3COO]- 244.11905 182.7
[M+Na-2H]- 206.07987 145.5
[M]+ 185.10465 143.3
[M]- 185.10575 143.3
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.