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]+ 217.11829 150.4
[M+Na]+ 239.10023 154.6
[M-H]- 215.10373 149.3
[M+NH4]+ 234.14483 167.4
[M+K]+ 255.07417 155.0
[M+H-H2O]+ 199.10827 144.2
[M+HCOO]- 261.10921 171.6
[M+CH3COO]- 275.12486 192.6
[M+Na-2H]- 237.08568 149.1
[M]+ 216.11046 149.9
[M]- 216.11156 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.