CID 53976808

87154-18-5

Structural Information

Molecular Formula
C9H15NO4
SMILES
C=CCOC(=O)NCCCCC(=O)O
InChI
InChI=1S/C9H15NO4/c1-2-7-14-9(13)10-6-4-3-5-8(11)12/h2H,1,3-7H2,(H,10,13)(H,11,12)
InChIKey
JVMLZIQZHFOYON-UHFFFAOYSA-N
Compound name
5-(prop-2-enoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

201.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 145.5
[M+Na]+ 224.089328 150.5
[M-H]- 200.092834 143.9
[M+NH4]+ 219.133933 163.4
[M+K]+ 240.063268 149.6
[M+H-H2O]+ 184.097370 139.8
[M+HCOO]- 246.098311 167.4
[M+CH3COO]- 260.113961 184.2
[M+Na-2H]- 222.074776 148.2
[M]+ 201.09956142 147.3
[M]- 201.10065858 147.3
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

patents stripe