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]+ 296.160476 169.5
[M+Na]+ 318.142418 173.3
[M-H]- 294.145924 170.6
[M+NH4]+ 313.187023 182.3
[M+K]+ 334.116358 172.2
[M+H-H2O]+ 278.150460 161.3
[M+HCOO]- 340.151401 190.3
[M+CH3COO]- 354.167051 205.0
[M+Na-2H]- 316.127866 173.4
[M]+ 295.15265142 171.5
[M]- 295.15374858 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.