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]+ 233.185976 158.2
[M+Na]+ 255.167918 161.5
[M-H]- 231.171424 156.5
[M+NH4]+ 250.212523 174.9
[M+K]+ 271.141858 161.3
[M+H-H2O]+ 215.175960 152.5
[M+HCOO]- 277.176901 178.3
[M+CH3COO]- 291.192551 195.4
[M+Na-2H]- 253.153366 160.8
[M]+ 232.17815142 159.4
[M]- 232.17924858 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.