CID 155820579

2460748-61-0

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CC(C)(C)OC(=O)NC1=C(N(N=C1)C)C#C
InChI
InChI=1S/C11H15N3O2/c1-6-9-8(7-12-14(9)5)13-10(15)16-11(2,3)4/h1,7H,2-5H3,(H,13,15)
InChIKey
QAEPBNFPVGYYLX-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-ethynyl-1-methylpyrazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 151.9
[M+Na]+ 244.10564 161.4
[M-H]- 220.10914 151.4
[M+NH4]+ 239.15024 167.2
[M+K]+ 260.07958 159.4
[M+H-H2O]+ 204.11368 138.4
[M+HCOO]- 266.11462 167.1
[M+CH3COO]- 280.13027 197.8
[M+Na-2H]- 242.09109 154.0
[M]+ 221.11587 148.2
[M]- 221.11697 148.2
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.