CID 50986462

Tert-butyl n-[1-(n-hydroxycarbamimidoyl)cyclobutyl]carbamate

Structural Information

Molecular Formula
C10H19N3O3
SMILES
CC(C)(C)OC(=O)NC1(CCC1)/C(=N/O)/N
InChI
InChI=1S/C10H19N3O3/c1-9(2,3)16-8(14)12-10(5-4-6-10)7(11)13-15/h15H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKey
NJCTYVNAPFQCMS-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14992 159.7
[M+Na]+ 252.13186 161.3
[M-H]- 228.13536 162.0
[M+NH4]+ 247.17646 171.4
[M+K]+ 268.10580 165.1
[M+H-H2O]+ 212.13990 148.3
[M+HCOO]- 274.14084 179.6
[M+CH3COO]- 288.15649 197.8
[M+Na-2H]- 250.11731 162.6
[M]+ 229.14209 165.4
[M]- 229.14319 165.4
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.