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]+ 190.14377 145.6
[M+Na]+ 212.12571 150.6
[M-H]- 188.12921 143.8
[M+NH4]+ 207.17031 164.1
[M+K]+ 228.09965 150.4
[M+H-H2O]+ 172.13375 140.8
[M+HCOO]- 234.13469 164.7
[M+CH3COO]- 248.15034 184.2
[M+Na-2H]- 210.11116 147.9
[M]+ 189.13594 146.0
[M]- 189.13704 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.