CID 117268

25649-04-1

Structural Information

Molecular Formula
C12H26N2O3
SMILES
CCCCC(C)(CO)COC(=O)NNC(C)C
InChI
InChI=1S/C12H26N2O3/c1-5-6-7-12(4,8-15)9-17-11(16)14-13-10(2)3/h10,13,15H,5-9H2,1-4H3,(H,14,16)
InChIKey
WUAAJHKTLJWUPX-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylhexyl] N-(propan-2-ylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20162 162.8
[M+Na]+ 269.18356 165.6
[M-H]- 245.18706 160.8
[M+NH4]+ 264.22816 178.9
[M+K]+ 285.15750 165.1
[M+H-H2O]+ 229.19160 156.8
[M+HCOO]- 291.19254 182.5
[M+CH3COO]- 305.20819 198.4
[M+Na-2H]- 267.16901 164.8
[M]+ 246.19379 164.3
[M]- 246.19489 164.3
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.