CID 117250

25480-69-7

Structural Information

Molecular Formula
C9H19NO3
SMILES
CCCC(CC)(CO)COC(=O)N
InChI
InChI=1S/C9H19NO3/c1-3-5-9(4-2,6-11)7-13-8(10)12/h11H,3-7H2,1-2H3,(H2,10,12)
InChIKey
WQGVORVGSUDFLT-UHFFFAOYSA-N
Compound name
[2-ethyl-2-(hydroxymethyl)pentyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 145.5
[M+Na]+ 212.12571 150.7
[M-H]- 188.12921 143.6
[M+NH4]+ 207.17031 164.1
[M+K]+ 228.09965 150.0
[M+H-H2O]+ 172.13375 140.6
[M+HCOO]- 234.13469 165.6
[M+CH3COO]- 248.15034 183.3
[M+Na-2H]- 210.11116 149.1
[M]+ 189.13594 146.6
[M]- 189.13704 146.6
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.