CID 23189824

Methyl 6-imino-6-methoxyhexanoate

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(=N)CCCCC(=O)OC
InChI
InChI=1S/C8H15NO3/c1-11-7(9)5-3-4-6-8(10)12-2/h9H,3-6H2,1-2H3
InChIKey
GPWHRNCWEWWREW-UHFFFAOYSA-N
Compound name
methyl 6-imino-6-methoxyhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4438
Patents

173.1052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 139.3
[M+Na]+ 196.094418 145.0
[M-H]- 172.097924 139.4
[M+NH4]+ 191.139023 159.3
[M+K]+ 212.068358 145.4
[M+H-H2O]+ 156.102460 133.9
[M+HCOO]- 218.103401 162.6
[M+CH3COO]- 232.119051 182.5
[M+Na-2H]- 194.079866 143.0
[M]+ 173.10465142 142.0
[M]- 173.10574858 142.0
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

patents stripe