CID 50405

Carbamic acid, (2-(3-methylbutoxy)ethyl) ester

Structural Information

Molecular Formula
C8H17NO3
SMILES
CC(C)CCOCCOC(=O)N
InChI
InChI=1S/C8H17NO3/c1-7(2)3-4-11-5-6-12-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKey
RNCZOBHKXCJZPG-UHFFFAOYSA-N
Compound name
2-(3-methylbutoxy)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.12085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.128126 141.1
[M+Na]+ 198.110068 146.5
[M-H]- 174.113574 140.6
[M+NH4]+ 193.154673 160.8
[M+K]+ 214.084008 147.1
[M+H-H2O]+ 158.118110 135.6
[M+HCOO]- 220.119051 163.6
[M+CH3COO]- 234.134701 183.4
[M+Na-2H]- 196.095516 143.7
[M]+ 175.12030142 143.6
[M]- 175.12139858 143.6
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

No patent data available for this compound.