CID 84728083

1296310-16-1

Structural Information

Molecular Formula
C11H20N4O2
SMILES
CC(C)(C)OC(=O)NCCCN1C=C(C=N1)N
InChI
InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)13-5-4-6-15-8-9(12)7-14-15/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKey
XITIZOQUUVELJS-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(4-aminopyrazol-1-yl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

240.15863 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16591 157.7
[M+Na]+ 263.14785 163.8
[M-H]- 239.15135 158.3
[M+NH4]+ 258.19245 173.9
[M+K]+ 279.12179 162.4
[M+H-H2O]+ 223.15589 150.0
[M+HCOO]- 285.15683 179.2
[M+CH3COO]- 299.17248 195.5
[M+Na-2H]- 261.13330 161.2
[M]+ 240.15808 158.6
[M]- 240.15918 158.6
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