CID 91665611

1345680-97-8

Structural Information

Molecular Formula
C12H26N2O4
SMILES
CC(C)(C)OC(=O)N(C)CCNCCOCCO
InChI
InChI=1S/C12H26N2O4/c1-12(2,3)18-11(16)14(4)7-5-13-6-9-17-10-8-15/h13,15H,5-10H2,1-4H3
InChIKey
RZZQCIBGHFVPJC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

262.18927 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19655 165.0
[M+Na]+ 285.17849 168.2
[M-H]- 261.18199 164.5
[M+NH4]+ 280.22309 181.2
[M+K]+ 301.15243 169.2
[M+H-H2O]+ 245.18653 158.7
[M+HCOO]- 307.18747 186.5
[M+CH3COO]- 321.20312 202.3
[M+Na-2H]- 283.16394 167.8
[M]+ 262.18872 169.9
[M]- 262.18982 169.9
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

patents stripe