CID 117241

25451-52-9

Structural Information

Molecular Formula
C8H17NO3
SMILES
CCCCC(CO)COC(=O)N
InChI
InChI=1S/C8H17NO3/c1-2-3-4-7(5-10)6-12-8(9)11/h7,10H,2-6H2,1H3,(H2,9,11)
InChIKey
YLQRXLUMXFSAAG-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)hexyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.12085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.128126 141.8
[M+Na]+ 198.110068 146.7
[M-H]- 174.113574 139.8
[M+NH4]+ 193.154673 160.7
[M+K]+ 214.084008 146.3
[M+H-H2O]+ 158.118110 136.4
[M+HCOO]- 220.119051 162.7
[M+CH3COO]- 234.134701 180.9
[M+Na-2H]- 196.095516 143.7
[M]+ 175.12030142 142.2
[M]- 175.12139858 142.2
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.