CID 18395

1-hexanol, 5,5-dimethyl-, carbamate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)(C)CCCCOC(=O)N
InChI
InChI=1S/C9H19NO2/c1-9(2,3)6-4-5-7-12-8(10)11/h4-7H2,1-3H3,(H2,10,11)
InChIKey
UWUWSCUCCLLFFD-UHFFFAOYSA-N
Compound name
5,5-dimethylhexyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 142.4
[M+Na]+ 196.13081 148.2
[M-H]- 172.13431 142.0
[M+NH4]+ 191.17541 162.5
[M+K]+ 212.10475 148.0
[M+H-H2O]+ 156.13885 137.6
[M+HCOO]- 218.13979 163.8
[M+CH3COO]- 232.15544 183.2
[M+Na-2H]- 194.11626 146.4
[M]+ 173.14104 143.9
[M]- 173.14214 143.9
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