CID 122164031

801239-88-3

Structural Information

Molecular Formula
C12H25NO5
SMILES
CC(C)(C)OC(=O)NCCCOCCOCCO
InChI
InChI=1S/C12H25NO5/c1-12(2,3)18-11(15)13-5-4-7-16-9-10-17-8-6-14/h14H,4-10H2,1-3H3,(H,13,15)
InChIKey
NVQXKSHXKOYISL-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.17328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18056 164.0
[M+Na]+ 286.16250 167.8
[M-H]- 262.16600 162.0
[M+NH4]+ 281.20710 179.8
[M+K]+ 302.13644 167.9
[M+H-H2O]+ 246.17054 158.1
[M+HCOO]- 308.17148 184.2
[M+CH3COO]- 322.18713 195.8
[M+Na-2H]- 284.14795 167.4
[M]+ 263.17273 170.0
[M]- 263.17383 170.0
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