CID 122197269

Chembl3706483

Structural Information

Molecular Formula
C9H18N2O5
SMILES
CC(CCCO)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C9H18N2O5/c1-9(3-2-4-12,5-15-7(10)13)6-16-8(11)14/h12H,2-6H2,1H3,(H2,10,13)(H2,11,14)
InChIKey
YBVFLXCJNNIRES-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-5-hydroxy-2-methylpentyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12157 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12885 152.5
[M+Na]+ 257.11079 156.6
[M-H]- 233.11429 150.0
[M+NH4]+ 252.15539 168.3
[M+K]+ 273.08473 156.8
[M+H-H2O]+ 217.11883 146.7
[M+HCOO]- 279.11977 172.6
[M+CH3COO]- 293.13542 191.7
[M+Na-2H]- 255.09624 154.4
[M]+ 234.12102 153.1
[M]- 234.12212 153.1
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.