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
2
Annotation Hits

0
References

19
Patents

157.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 137.4
[M+Na]+ 180.099498 143.0
[M-H]- 156.103004 137.1
[M+NH4]+ 175.144103 157.8
[M+K]+ 196.073438 143.0
[M+H-H2O]+ 140.107540 132.4
[M+HCOO]- 202.108481 158.9
[M+CH3COO]- 216.124131 180.7
[M+Na-2H]- 178.084946 138.7
[M]+ 157.10973142 137.0
[M]- 157.11082858 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

patents stripe