CID 70984316

1394162-48-1

Structural Information

Molecular Formula
C10H18N4O2
SMILES
CC(C)(C)OC(=O)NCCN1C=C(C=N1)N
InChI
InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14/h6-7H,4-5,11H2,1-3H3,(H,12,15)
InChIKey
AZNYWSBHIXKFKY-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

226.14297 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15025 153.2
[M+Na]+ 249.13219 159.7
[M-H]- 225.13569 154.0
[M+NH4]+ 244.17679 170.0
[M+K]+ 265.10613 158.6
[M+H-H2O]+ 209.14023 145.7
[M+HCOO]- 271.14117 175.1
[M+CH3COO]- 285.15682 192.5
[M+Na-2H]- 247.11764 157.2
[M]+ 226.14242 153.8
[M]- 226.14352 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