CID 117267

25649-03-0

Structural Information

Molecular Formula
C11H24N2O3
SMILES
CCCC(C)(CO)COC(=O)NNC(C)C
InChI
InChI=1S/C11H24N2O3/c1-5-6-11(4,7-14)8-16-10(15)13-12-9(2)3/h9,12,14H,5-8H2,1-4H3,(H,13,15)
InChIKey
LCXDJHNQFGKTOE-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylpentyl] N-(propan-2-ylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1787 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18598 158.2
[M+Na]+ 255.16792 161.5
[M-H]- 231.17142 156.5
[M+NH4]+ 250.21252 174.9
[M+K]+ 271.14186 161.3
[M+H-H2O]+ 215.17596 152.5
[M+HCOO]- 277.17690 178.3
[M+CH3COO]- 291.19255 195.4
[M+Na-2H]- 253.15337 160.8
[M]+ 232.17815 159.4
[M]- 232.17925 159.4
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.