CID 65403

Dimethyl pimelimidate

Structural Information

Molecular Formula
C9H18N2O2
SMILES
COC(=N)CCCCCC(=N)OC
InChI
InChI=1S/C9H18N2O2/c1-12-8(10)6-4-3-5-7-9(11)13-2/h10-11H,3-7H2,1-2H3
InChIKey
LRPQMNYCTSPGCX-UHFFFAOYSA-N
Compound name
dimethyl heptanediimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

55
References

6479
Patents

186.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 145.3
[M+Na]+ 209.12605 149.7
[M-H]- 185.12955 145.1
[M+NH4]+ 204.17065 164.4
[M+K]+ 225.09999 149.3
[M+H-H2O]+ 169.13409 139.3
[M+HCOO]- 231.13503 169.0
[M+CH3COO]- 245.15068 188.5
[M+Na-2H]- 207.11150 148.6
[M]+ 186.13628 146.0
[M]- 186.13738 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe