CID 5915546

Nsc651220

Structural Information

Molecular Formula
C8H13NO3
SMILES
C/C(=N/OCCC(=O)O)/C1CC1
InChI
InChI=1S/C8H13NO3/c1-6(7-2-3-7)9-12-5-4-8(10)11/h7H,2-5H2,1H3,(H,10,11)/b9-6-
InChIKey
TVKWPRUURFJJGD-TWGQIWQCSA-N
Compound name
3-[(Z)-1-cyclopropylethylideneamino]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.9
[M+Na]+ 194.07876 144.6
[M-H]- 170.08226 141.4
[M+NH4]+ 189.12336 152.1
[M+K]+ 210.05270 143.0
[M+H-H2O]+ 154.08680 130.8
[M+HCOO]- 216.08774 160.6
[M+CH3COO]- 230.10339 184.9
[M+Na-2H]- 192.06421 141.4
[M]+ 171.08899 141.0
[M]- 171.09009 141.0
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.