CID 1549760

73747-58-7

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)OCCCNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H17NO4/c1-8(2)15-7-3-6-11-9(12)4-5-10(13)14/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)(H,13,14)/b5-4-
InChIKey
NUIFMUOQLZKVGZ-PLNGDYQASA-N
Compound name
(Z)-4-oxo-4-(3-propan-2-yloxypropylamino)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.11575 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 150.7
[M+Na]+ 238.10497 156.8
[M+NH4]+ 233.14957 155.0
[M+K]+ 254.07891 153.9
[M-H]- 214.10847 147.2
[M+Na-2H]- 236.09042 150.4
[M]+ 215.11520 149.8
[M]- 215.11630 149.8
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.