CID 58057

Erl 390

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CCN(CC)COC(=O)NC1CC2CC1C=C2
InChI
InChI=1S/C13H22N2O2/c1-3-15(4-2)9-17-13(16)14-12-8-10-5-6-11(12)7-10/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKey
CTOVNXURWMANNO-UHFFFAOYSA-N
Compound name
diethylaminomethyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 157.1
[M+Na]+ 261.15734 162.8
[M+NH4]+ 256.20194 164.9
[M+K]+ 277.13128 161.5
[M-H]- 237.16084 157.6
[M+Na-2H]- 259.14279 157.7
[M]+ 238.16757 157.5
[M]- 238.16867 157.5
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.