CID 82386141

1783976-43-1

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(C)(C)OC(=O)NCCC1CN(CCN1)C
InChI
InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-6-5-10-9-15(4)8-7-13-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKey
IGCDPEVZNQWQQB-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.19467 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 162.3
[M+Na]+ 266.18389 165.6
[M-H]- 242.18739 160.6
[M+NH4]+ 261.22849 176.2
[M+K]+ 282.15783 163.8
[M+H-H2O]+ 226.19193 154.9
[M+HCOO]- 288.19287 176.5
[M+CH3COO]- 302.20852 192.8
[M+Na-2H]- 264.16934 164.7
[M]+ 243.19412 158.6
[M]- 243.19522 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

No patent data available for this compound.