CID 117242

25451-56-3

Structural Information

Molecular Formula
C9H19NO3
SMILES
CCCCC(C)(CO)COC(=O)N
InChI
InChI=1S/C9H19NO3/c1-3-4-5-9(2,6-11)7-13-8(10)12/h11H,3-7H2,1-2H3,(H2,10,12)
InChIKey
FEMYUNCOXYVXAB-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylhexyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.143766 145.5
[M+Na]+ 212.125708 150.7
[M-H]- 188.129214 143.6
[M+NH4]+ 207.170313 164.1
[M+K]+ 228.099648 150.0
[M+H-H2O]+ 172.133750 140.6
[M+HCOO]- 234.134691 165.6
[M+CH3COO]- 248.150341 183.3
[M+Na-2H]- 210.111156 149.1
[M]+ 189.13594142 146.6
[M]- 189.13703858 146.6
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

patents stripe