CID 117810337

1454848-70-4

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CC(C)(C)OC(=O)N(C)CC1=NN(C(=C1)C#N)C
InChI
InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)15(4)8-9-6-10(7-13)16(5)14-9/h6H,8H2,1-5H3
InChIKey
BWCWVEOBDHHDIO-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.14297 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 158.2
[M+Na]+ 273.13219 166.7
[M-H]- 249.13569 159.9
[M+NH4]+ 268.17679 173.2
[M+K]+ 289.10613 166.6
[M+H-H2O]+ 233.14023 143.6
[M+HCOO]- 295.14117 175.6
[M+CH3COO]- 309.15682 210.3
[M+Na-2H]- 271.11764 160.0
[M]+ 250.14242 156.8
[M]- 250.14352 156.8
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