CID 56923815

Tert-butyl 2-cyanopiperazine-1-carboxylate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCNCC1C#N
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11/h8,12H,4-5,7H2,1-3H3
InChIKey
YCIUFWZZINYMBA-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyanopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

211.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.139356 148.5
[M+Na]+ 234.121298 155.1
[M-H]- 210.124804 147.1
[M+NH4]+ 229.165903 162.2
[M+K]+ 250.095238 153.5
[M+H-H2O]+ 194.129340 135.1
[M+HCOO]- 256.130281 159.6
[M+CH3COO]- 270.145931 195.0
[M+Na-2H]- 232.106746 151.4
[M]+ 211.13153142 139.9
[M]- 211.13262858 139.9
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