CID 146082048

2408958-49-4

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CC(C)(C)OC(=O)NCC1=C(C=NN1C)C#C
InChI
InChI=1S/C12H17N3O2/c1-6-9-7-14-15(5)10(9)8-13-11(16)17-12(2,3)4/h1,7H,8H2,2-5H3,(H,13,16)
InChIKey
LBALTHXTNOYDIT-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-ethynyl-2-methylpyrazol-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 153.2
[M+Na]+ 258.12130 162.2
[M+NH4]+ 253.16590 155.3
[M+K]+ 274.09524 156.9
[M-H]- 234.12480 144.2
[M+Na-2H]- 256.10675 153.6
[M]+ 235.13153 150.8
[M]- 235.13263 150.8
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

No patent data available for this compound.