CID 67673083

2172493-89-7

Structural Information

Molecular Formula
C12H24N4O2
SMILES
CC(C)(C)OC(=O)NCC1CCN(CC1)C(=N)N
InChI
InChI=1S/C12H24N4O2/c1-12(2,3)18-11(17)15-8-9-4-6-16(7-5-9)10(13)14/h9H,4-8H2,1-3H3,(H3,13,14)(H,15,17)
InChIKey
SGWCLPCTGQWCTD-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-carbamimidoylpiperidin-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.1899 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.19718 162.7
[M+Na]+ 279.17912 164.8
[M-H]- 255.18262 163.4
[M+NH4]+ 274.22372 177.1
[M+K]+ 295.15306 163.8
[M+H-H2O]+ 239.18716 155.4
[M+HCOO]- 301.18810 180.4
[M+CH3COO]- 315.20375 201.7
[M+Na-2H]- 277.16457 164.2
[M]+ 256.18935 156.4
[M]- 256.19045 156.4
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