CID 54592517

Tert-butyl n-[1-(n'-hydroxycarbamimidoyl)-2-methylpropyl]carbamate

Structural Information

Molecular Formula
C10H21N3O3
SMILES
CC(C)C(/C(=N/O)/N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H21N3O3/c1-6(2)7(8(11)13-15)12-9(14)16-10(3,4)5/h6-7,15H,1-5H3,(H2,11,13)(H,12,14)
InChIKey
FOCOPBKUZMDGDR-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.1583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16558 155.8
[M+Na]+ 254.14752 159.4
[M+NH4]+ 249.19212 159.7
[M+K]+ 270.12146 158.9
[M-H]- 230.15102 153.1
[M+Na-2H]- 252.13297 155.2
[M]+ 231.15775 154.8
[M]- 231.15885 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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