CID 11680321

Methyl 3-{[(tert-butoxy)carbonyl](prop-2-en-1-yl)amino}propanoate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N(CCC(=O)OC)CC=C
InChI
InChI=1S/C12H21NO4/c1-6-8-13(9-7-10(14)16-5)11(15)17-12(2,3)4/h6H,1,7-9H2,2-5H3
InChIKey
HRDFVJTVCHNIDL-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 157.3
[M+Na]+ 266.13628 162.5
[M-H]- 242.13978 158.6
[M+NH4]+ 261.18088 175.4
[M+K]+ 282.11022 163.6
[M+H-H2O]+ 226.14432 151.8
[M+HCOO]- 288.14526 178.9
[M+CH3COO]- 302.16091 198.1
[M+Na-2H]- 264.12173 159.4
[M]+ 243.14651 163.0
[M]- 243.14761 163.0
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