CID 134470033

2003765-62-4

Structural Information

Molecular Formula
C9H16N4O3
SMILES
CC(C)(C)OC(=O)NCC1=NNC(=O)N1C
InChI
InChI=1S/C9H16N4O3/c1-9(2,3)16-8(15)10-5-6-11-12-7(14)13(6)4/h5H2,1-4H3,(H,10,15)(H,12,14)
InChIKey
MDKATOJVIHUVML-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

228.12224 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12952 152.1
[M+Na]+ 251.11146 160.6
[M-H]- 227.11496 151.2
[M+NH4]+ 246.15606 167.5
[M+K]+ 267.08540 158.9
[M+H-H2O]+ 211.11950 144.9
[M+HCOO]- 273.12044 171.4
[M+CH3COO]- 287.13609 188.0
[M+Na-2H]- 249.09691 156.0
[M]+ 228.12169 153.8
[M]- 228.12279 153.8
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