CID 59418320

1236861-77-0

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)/C=C/N(C)C
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-10(9-15)11(16)6-7-14(4)5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKey
GRZRDEFGROCFOZ-VOTSOKGWSA-N
Compound name
tert-butyl 3-[(E)-3-(dimethylamino)prop-2-enoyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

254.16304 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 164.6
[M+Na]+ 277.15226 167.8
[M-H]- 253.15576 167.5
[M+NH4]+ 272.19686 174.2
[M+K]+ 293.12620 171.4
[M+H-H2O]+ 237.16030 152.4
[M+HCOO]- 299.16124 182.2
[M+CH3COO]- 313.17689 203.8
[M+Na-2H]- 275.13771 164.6
[M]+ 254.16249 175.4
[M]- 254.16359 175.4
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