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]+ 232.165576 156.0
[M+Na]+ 254.147518 159.7
[M-H]- 230.151024 157.0
[M+NH4]+ 249.192123 173.5
[M+K]+ 270.121458 161.8
[M+H-H2O]+ 214.155560 149.9
[M+HCOO]- 276.156501 178.1
[M+CH3COO]- 290.172151 201.5
[M+Na-2H]- 252.132966 156.9
[M]+ 231.15775142 156.7
[M]- 231.15884858 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.