CID 6432967

4-hydroxybutyl 3-amino-2-butenoate

Structural Information

Molecular Formula
C8H15NO3
SMILES
C/C(=C/C(=O)OCCCCO)/N
InChI
InChI=1S/C8H15NO3/c1-7(9)6-8(11)12-5-3-2-4-10/h6,10H,2-5,9H2,1H3/b7-6-
InChIKey
ZYHAPCXGXNLQDF-SREVYHEPSA-N
Compound name
4-hydroxybutyl (Z)-3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 140.5
[M+Na]+ 196.09442 145.8
[M-H]- 172.09792 138.6
[M+NH4]+ 191.13902 159.5
[M+K]+ 212.06836 144.8
[M+H-H2O]+ 156.10246 135.2
[M+HCOO]- 218.10340 161.7
[M+CH3COO]- 232.11905 179.3
[M+Na-2H]- 194.07987 142.5
[M]+ 173.10465 140.2
[M]- 173.10575 140.2
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