CID 212375

24269-21-4

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(C)OC(=O)N1CCN(CC1)CCN(C)C
InChI
InChI=1S/C12H25N3O2/c1-11(2)17-12(16)15-9-7-14(8-10-15)6-5-13(3)4/h11H,5-10H2,1-4H3
InChIKey
HUGDJEHTCPGXDR-UHFFFAOYSA-N
Compound name
propan-2-yl 4-[2-(dimethylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.19467 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 160.8
[M+Na]+ 266.18389 163.9
[M-H]- 242.18739 161.7
[M+NH4]+ 261.22849 175.8
[M+K]+ 282.15783 164.5
[M+H-H2O]+ 226.19193 152.4
[M+HCOO]- 288.19287 177.6
[M+CH3COO]- 302.20852 199.9
[M+Na-2H]- 264.16934 161.0
[M]+ 243.19412 160.2
[M]- 243.19522 160.2
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.