CID 117243

25451-58-5

Structural Information

Molecular Formula
C9H19NO3
SMILES
CC(C)CC(C)(CO)COC(=O)N
InChI
InChI=1S/C9H19NO3/c1-7(2)4-9(3,5-11)6-13-8(10)12/h7,11H,4-6H2,1-3H3,(H2,10,12)
InChIKey
HFRSCQWPRWHTJR-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2,4-dimethylpentyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.143766 145.6
[M+Na]+ 212.125708 150.6
[M-H]- 188.129214 143.8
[M+NH4]+ 207.170313 164.1
[M+K]+ 228.099648 150.4
[M+H-H2O]+ 172.133750 140.8
[M+HCOO]- 234.134691 164.7
[M+CH3COO]- 248.150341 184.2
[M+Na-2H]- 210.111156 147.9
[M]+ 189.13594142 146.0
[M]- 189.13703858 146.0
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.