CID 212920

25384-92-3

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CCCC(C)(COC(=O)N)COC(=O)NC1=CN=CC=C1
InChI
InChI=1S/C14H21N3O4/c1-3-6-14(2,9-20-12(15)18)10-21-13(19)17-11-5-4-7-16-8-11/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,18)(H,17,19)
InChIKey
WMMPXIWZQABLFQ-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-pyridin-3-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 169.5
[M+Na]+ 318.14242 173.3
[M-H]- 294.14592 170.6
[M+NH4]+ 313.18702 182.3
[M+K]+ 334.11636 172.2
[M+H-H2O]+ 278.15046 161.3
[M+HCOO]- 340.15140 190.3
[M+CH3COO]- 354.16705 205.0
[M+Na-2H]- 316.12787 173.4
[M]+ 295.15265 171.5
[M]- 295.15375 171.5
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.