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
2
Annotation Hits

0
References

41
Patents

352.19983 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.207106 179.8
[M+Na]+ 375.189048 183.4
[M-H]- 351.192554 183.4
[M+NH4]+ 370.233653 196.7
[M+K]+ 391.162988 183.1
[M+H-H2O]+ 335.197090 174.7
[M+HCOO]- 397.198031 199.6
[M+CH3COO]- 411.213681 219.7
[M+Na-2H]- 373.174496 180.3
[M]+ 352.19928142 182.3
[M]- 352.20037858 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