CID 212423

24269-65-6

Structural Information

Molecular Formula
C13H27N3O2
SMILES
CC(C)NCCN1CCN(CC1)C(=O)OC(C)C
InChI
InChI=1S/C13H27N3O2/c1-11(2)14-5-6-15-7-9-16(10-8-15)13(17)18-12(3)4/h11-12,14H,5-10H2,1-4H3
InChIKey
GCVUDIMRWVMSQW-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21033 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.21761 165.9
[M+Na]+ 280.19955 168.2
[M-H]- 256.20305 165.3
[M+NH4]+ 275.24415 179.6
[M+K]+ 296.17349 167.7
[M+H-H2O]+ 240.20759 157.6
[M+HCOO]- 302.20853 180.9
[M+CH3COO]- 316.22418 200.4
[M+Na-2H]- 278.18500 165.1
[M]+ 257.20978 163.8
[M]- 257.21088 163.8
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

No patent data available for this compound.