CID 85381411

2-butenoic acid, 3-amino-, 2-methylpropyl ester

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)COC(=O)C=C(C)N
InChI
InChI=1S/C8H15NO2/c1-6(2)5-11-8(10)4-7(3)9/h4,6H,5,9H2,1-3H3
InChIKey
DFLRRTPSYIFGOC-UHFFFAOYSA-N
Compound name
2-methylpropyl 3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 137.4
[M+Na]+ 180.09950 143.0
[M-H]- 156.10300 137.1
[M+NH4]+ 175.14410 157.8
[M+K]+ 196.07344 143.0
[M+H-H2O]+ 140.10754 132.4
[M+HCOO]- 202.10848 158.9
[M+CH3COO]- 216.12413 180.7
[M+Na-2H]- 178.08495 138.7
[M]+ 157.10973 137.0
[M]- 157.11083 137.0
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.