CID 10375241

98642-44-5

Structural Information

Molecular Formula
C9H19NO3
SMILES
CC(C)(C)OC(=O)N(C)CCCO
InChI
InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h11H,5-7H2,1-4H3
InChIKey
GJGLBUZZTLPCOT-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-hydroxypropyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

612
Patents

189.13649 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 144.8
[M+Na]+ 212.12571 150.4
[M-H]- 188.12921 145.1
[M+NH4]+ 207.17031 164.6
[M+K]+ 228.09965 151.6
[M+H-H2O]+ 172.13375 140.0
[M+HCOO]- 234.13469 166.2
[M+CH3COO]- 248.15034 186.1
[M+Na-2H]- 210.11116 148.8
[M]+ 189.13594 148.1
[M]- 189.13704 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe