CID 213004

25451-32-5

Structural Information

Molecular Formula
C9H16N2O4
SMILES
CC(=C)CC(CCOC(=O)N)OC(=O)N
InChI
InChI=1S/C9H16N2O4/c1-6(2)5-7(15-9(11)13)3-4-14-8(10)12/h7H,1,3-5H2,2H3,(H2,10,12)(H2,11,13)
InChIKey
MGHALAVECSSUGX-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-5-methylhex-5-enyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.118286 150.4
[M+Na]+ 239.100228 154.6
[M-H]- 215.103734 149.3
[M+NH4]+ 234.144833 167.4
[M+K]+ 255.074168 155.0
[M+H-H2O]+ 199.108270 144.2
[M+HCOO]- 261.109211 171.6
[M+CH3COO]- 275.124861 192.6
[M+Na-2H]- 237.085676 149.1
[M]+ 216.11046142 149.9
[M]- 216.11155858 149.9
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

No patent data available for this compound.