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 158.7
[M+Na]+ 261.15734 163.0
[M-H]- 237.16084 162.4
[M+NH4]+ 256.20194 181.4
[M+K]+ 277.13128 162.4
[M+H-H2O]+ 221.16538 152.8
[M+HCOO]- 283.16632 182.1
[M+CH3COO]- 297.18197 200.1
[M+Na-2H]- 259.14279 160.4
[M]+ 238.16757 160.7
[M]- 238.16867 160.7
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.