CID 212492

24311-79-3

Structural Information

Molecular Formula
C14H29N3O2
SMILES
CC(C)OC(=O)N1CCN(CC1)CCNC(C)(C)C
InChI
InChI=1S/C14H29N3O2/c1-12(2)19-13(18)17-10-8-16(9-11-17)7-6-15-14(3,4)5/h12,15H,6-11H2,1-5H3
InChIKey
PVAIUEHRNGUSFA-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-(tert-butylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.22598 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.23326 170.2
[M+Na]+ 294.21520 172.8
[M-H]- 270.21870 169.7
[M+NH4]+ 289.25980 183.7
[M+K]+ 310.18914 172.0
[M+H-H2O]+ 254.22324 162.4
[M+HCOO]- 316.22418 184.3
[M+CH3COO]- 330.23983 202.2
[M+Na-2H]- 292.20065 170.9
[M]+ 271.22543 168.5
[M]- 271.22653 168.5
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.