CID 9605068

N-(tert-butoxycarbonyl)-1h-pyrazole-1-carboxamidine

Structural Information

Molecular Formula
C9H14N4O2
SMILES
CC(C)(C)OC(=O)/N=C(\N)/N1C=CC=N1
InChI
InChI=1S/C9H14N4O2/c1-9(2,3)15-8(14)12-7(10)13-6-4-5-11-13/h4-6H,1-3H3,(H2,10,12,14)
InChIKey
IGSFMHYSWZUENI-UHFFFAOYSA-N
Compound name
tert-butyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

210.11168 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.118956 147.9
[M+Na]+ 233.100898 154.6
[M-H]- 209.104404 150.2
[M+NH4]+ 228.145503 165.8
[M+K]+ 249.074838 154.6
[M+H-H2O]+ 193.108940 140.3
[M+HCOO]- 255.109881 170.9
[M+CH3COO]- 269.125531 189.4
[M+Na-2H]- 231.086346 152.5
[M]+ 210.11113142 148.2
[M]- 210.11222858 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

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Patent stripe

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