CID 64405992

Tert-butyl n-[carbamimidoyl(cyclohexyl)methyl]carbamate

Structural Information

Molecular Formula
C13H25N3O2
SMILES
CC(C)(C)OC(=O)NC(C1CCCCC1)C(=N)N
InChI
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-10(11(14)15)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H3,14,15)(H,16,17)
InChIKey
DDQJHTSVSYQYRH-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-1-cyclohexyl-2-iminoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20195 162.5
[M+Na]+ 278.18389 166.5
[M+NH4]+ 273.22849 167.8
[M+K]+ 294.15783 164.1
[M-H]- 254.18739 162.8
[M+Na-2H]- 276.16934 163.8
[M]+ 255.19412 162.4
[M]- 255.19522 162.4
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

No patent data available for this compound.