CID 19369009

Tert-butyl n-(2-hydroxypropyl)-n-methylcarbamate

Structural Information

Molecular Formula
C9H19NO3
SMILES
CC(CN(C)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C9H19NO3/c1-7(11)6-10(5)8(12)13-9(2,3)4/h7,11H,6H2,1-5H3
InChIKey
ROQKPIPQWREQCV-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxypropyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

189.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 144.4
[M+Na]+ 212.12571 149.8
[M-H]- 188.12921 144.8
[M+NH4]+ 207.17031 164.1
[M+K]+ 228.09965 151.5
[M+H-H2O]+ 172.13375 139.8
[M+HCOO]- 234.13469 164.8
[M+CH3COO]- 248.15034 187.0
[M+Na-2H]- 210.11116 147.3
[M]+ 189.13594 147.1
[M]- 189.13704 147.1
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