CID 62667302

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

Structural Information

Molecular Formula
C9H19N3O3
SMILES
CC(CNC(=O)OC(C)(C)C)/C(=N/O)/N
InChI
InChI=1S/C9H19N3O3/c1-6(7(10)12-14)5-11-8(13)15-9(2,3)4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKey
NXWDWKLIOMWYEX-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.14264 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14992 151.7
[M+Na]+ 240.13186 155.6
[M-H]- 216.13536 151.4
[M+NH4]+ 235.17646 169.1
[M+K]+ 256.10580 156.5
[M+H-H2O]+ 200.13990 145.8
[M+HCOO]- 262.14084 173.5
[M+CH3COO]- 276.15649 195.1
[M+Na-2H]- 238.11731 153.8
[M]+ 217.14209 150.7
[M]- 217.14319 150.7
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

patents stripe