CID 138694725

Tert-butyl n-[3-(3-hydroxypropoxy)propyl]carbamate

Structural Information

Molecular Formula
C11H23NO4
SMILES
CC(C)(C)OC(=O)NCCCOCCCO
InChI
InChI=1S/C11H23NO4/c1-11(2,3)16-10(14)12-6-4-8-15-9-5-7-13/h13H,4-9H2,1-3H3,(H,12,14)
InChIKey
IJYNDESZOQIQDO-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(3-hydroxypropoxy)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

233.1627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16998 157.2
[M+Na]+ 256.15192 161.6
[M-H]- 232.15542 155.5
[M+NH4]+ 251.19652 174.4
[M+K]+ 272.12586 161.4
[M+H-H2O]+ 216.15996 151.8
[M+HCOO]- 278.16090 177.6
[M+CH3COO]- 292.17655 190.7
[M+Na-2H]- 254.13737 161.0
[M]+ 233.16215 161.4
[M]- 233.16325 161.4
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