CID 94289

2-ethylhexyl carbamate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCCC(CC)COC(=O)N
InChI
InChI=1S/C9H19NO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKey
OZDFMZUKOBBNHM-UHFFFAOYSA-N
Compound name
2-ethylhexyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

670
Patents

173.14159 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 143.1
[M+Na]+ 196.13081 148.1
[M-H]- 172.13431 142.5
[M+NH4]+ 191.17541 163.0
[M+K]+ 212.10475 148.0
[M+H-H2O]+ 156.13885 137.7
[M+HCOO]- 218.13979 165.0
[M+CH3COO]- 232.15544 184.4
[M+Na-2H]- 194.11626 145.1
[M]+ 173.14104 144.5
[M]- 173.14214 144.5
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