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]+ 244.154336 157.3
[M+Na]+ 266.136278 162.5
[M-H]- 242.139784 158.6
[M+NH4]+ 261.180883 175.4
[M+K]+ 282.110218 163.6
[M+H-H2O]+ 226.144320 151.8
[M+HCOO]- 288.145261 178.9
[M+CH3COO]- 302.160911 198.1
[M+Na-2H]- 264.121726 159.4
[M]+ 243.14651142 163.0
[M]- 243.14760858 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