CID 165700095

En300-7548079

Structural Information

Molecular Formula
C15H31N3O3
SMILES
CC(C)(C)OC(=O)NCCCCN1CCN(CC1)CCO
InChI
InChI=1S/C15H31N3O3/c1-15(2,3)21-14(20)16-6-4-5-7-17-8-10-18(11-9-17)12-13-19/h19H,4-13H2,1-3H3,(H,16,20)
InChIKey
NUCKNXURAWVGGC-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.23654 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.24382 177.8
[M+Na]+ 324.22576 179.7
[M-H]- 300.22926 175.5
[M+NH4]+ 319.27036 189.3
[M+K]+ 340.19970 177.8
[M+H-H2O]+ 284.23380 169.7
[M+HCOO]- 346.23474 191.2
[M+CH3COO]- 360.25039 203.9
[M+Na-2H]- 322.21121 178.9
[M]+ 301.23599 176.7
[M]- 301.23709 176.7
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.