CID 50404

69353-05-5

Structural Information

Molecular Formula
C8H17NO3
SMILES
CCC(C)COCCOC(=O)N
InChI
InChI=1S/C8H17NO3/c1-3-7(2)6-11-4-5-12-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKey
WCAGWPZJSJKHEX-UHFFFAOYSA-N
Compound name
2-(2-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]+ 176.12813 141.1
[M+Na]+ 198.11007 146.5
[M-H]- 174.11357 140.6
[M+NH4]+ 193.15467 160.8
[M+K]+ 214.08401 147.1
[M+H-H2O]+ 158.11811 135.6
[M+HCOO]- 220.11905 163.6
[M+CH3COO]- 234.13470 183.4
[M+Na-2H]- 196.09552 143.7
[M]+ 175.12030 143.6
[M]- 175.12140 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.