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

51
Patents

201.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 145.5
[M+Na]+ 224.08933 150.5
[M-H]- 200.09283 143.9
[M+NH4]+ 219.13393 163.4
[M+K]+ 240.06327 149.6
[M+H-H2O]+ 184.09737 139.8
[M+HCOO]- 246.09831 167.4
[M+CH3COO]- 260.11396 184.2
[M+Na-2H]- 222.07478 148.2
[M]+ 201.09956 147.3
[M]- 201.10066 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