CID 3040242

3-heptanol, 4-propyl-, carbamate

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

1
Patents

201.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.180156 152.8
[M+Na]+ 224.162098 156.8
[M-H]- 200.165604 151.9
[M+NH4]+ 219.206703 171.5
[M+K]+ 240.136038 156.6
[M+H-H2O]+ 184.170140 147.1
[M+HCOO]- 246.171081 173.1
[M+CH3COO]- 260.186731 191.4
[M+Na-2H]- 222.147546 152.5
[M]+ 201.17233142 154.3
[M]- 201.17342858 154.3
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

patents stripe