CID 44828660

Tert-butyl 4-carbamimidoylpiperidine-1-carboxylate dihydrochloride

Structural Information

Molecular Formula
C11H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=N)N
InChI
InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13/h8H,4-7H2,1-3H3,(H3,12,13)
InChIKey
ZDZXZKQTFNUKKG-UHFFFAOYSA-N
Compound name
tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

227.16338 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17066 154.8
[M+Na]+ 250.15260 158.2
[M-H]- 226.15610 155.8
[M+NH4]+ 245.19720 170.7
[M+K]+ 266.12654 157.3
[M+H-H2O]+ 210.16064 148.2
[M+HCOO]- 272.16158 171.8
[M+CH3COO]- 286.17723 194.0
[M+Na-2H]- 248.13805 156.4
[M]+ 227.16283 149.0
[M]- 227.16393 149.0
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