CID 3040242

51864-94-9

Structural Information

Molecular Formula
C11H23NO2
SMILES
CCCC(CCC)C(CC)OC(=O)N
InChI
InChI=1S/C11H23NO2/c1-4-7-9(8-5-2)10(6-3)14-11(12)13/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKey
JEBLPNCAYFNVJX-UHFFFAOYSA-N
Compound name
4-propylheptan-3-yl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 150.7
[M+Na]+ 224.16210 157.7
[M+NH4]+ 219.20670 156.8
[M+K]+ 240.13604 153.6
[M-H]- 200.16560 149.2
[M+Na-2H]- 222.14755 151.5
[M]+ 201.17233 150.8
[M]- 201.17343 150.8
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.