CID 20824805

73597-26-9

Structural Information

Molecular Formula
C18H28N2O5
SMILES
CC(=C)C(=O)OCCOC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C
InChI
InChI=1S/C18H28N2O5/c1-13(2)15(22)24-6-7-25-16(23)19-11-18(5)9-14(20-12-21)8-17(3,4)10-18/h14H,1,6-11H2,2-5H3,(H,19,23)
InChIKey
UQCJKNNSDJROFO-UHFFFAOYSA-N
Compound name
2-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

352.19983 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20711 179.8
[M+Na]+ 375.18905 183.4
[M-H]- 351.19255 183.4
[M+NH4]+ 370.23365 196.7
[M+K]+ 391.16299 183.1
[M+H-H2O]+ 335.19709 174.7
[M+HCOO]- 397.19803 199.6
[M+CH3COO]- 411.21368 219.7
[M+Na-2H]- 373.17450 180.3
[M]+ 352.19928 182.3
[M]- 352.20038 182.3
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