CID 546260

1033334-00-7

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NN
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)15-10(11(17)16-14)9-7-5-4-6-8-9/h4-8,10H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
UGJVDHKUPLYPDD-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

265.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 162.2
[M+Na]+ 288.13186 165.5
[M-H]- 264.13536 164.9
[M+NH4]+ 283.17646 177.2
[M+K]+ 304.10580 164.9
[M+H-H2O]+ 248.13990 155.0
[M+HCOO]- 310.14084 184.4
[M+CH3COO]- 324.15649 202.7
[M+Na-2H]- 286.11731 165.3
[M]+ 265.14209 160.3
[M]- 265.14319 160.3
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