CID 63223943

Tert-butyl n-[1-(n'-hydroxycarbamimidoyl)propan-2-yl]-n-methylcarbamate

Structural Information

Molecular Formula
C10H21N3O3
SMILES
CC(C/C(=N/O)/N)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H21N3O3/c1-7(6-8(11)12-15)13(5)9(14)16-10(2,3)4/h7,15H,6H2,1-5H3,(H2,11,12)
InChIKey
KYBISIYPNCVILR-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1583 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16558 156.0
[M+Na]+ 254.14752 159.7
[M-H]- 230.15102 157.0
[M+NH4]+ 249.19212 173.5
[M+K]+ 270.12146 161.8
[M+H-H2O]+ 214.15556 149.9
[M+HCOO]- 276.15650 178.1
[M+CH3COO]- 290.17215 201.5
[M+Na-2H]- 252.13297 156.9
[M]+ 231.15775 156.7
[M]- 231.15885 156.7
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.