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]+ 176.12813 141.8
[M+Na]+ 198.11007 146.7
[M-H]- 174.11357 139.8
[M+NH4]+ 193.15467 160.7
[M+K]+ 214.08401 146.3
[M+H-H2O]+ 158.11811 136.4
[M+HCOO]- 220.11905 162.7
[M+CH3COO]- 234.13470 180.9
[M+Na-2H]- 196.09552 143.7
[M]+ 175.12030 142.2
[M]- 175.12140 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.