CID 9588820

Brn 5816353

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)NC(=O)ON1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C11H19N3O3/c1-9(2)13-11(15)17-14-6-4-5-10(8-14)7-12-16-3/h5,7,9H,4,6,8H2,1-3H3,(H,13,15)/b12-7+
InChIKey
PKGMTORXRFZZPH-KPKJPENVSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14992 155.5
[M+Na]+ 264.13186 159.7
[M-H]- 240.13536 158.4
[M+NH4]+ 259.17646 171.7
[M+K]+ 280.10580 159.9
[M+H-H2O]+ 224.13990 147.5
[M+HCOO]- 286.14084 177.9
[M+CH3COO]- 300.15649 198.5
[M+Na-2H]- 262.11731 158.8
[M]+ 241.14209 156.0
[M]- 241.14319 156.0
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.