CID 218530

Formamide, n-(2-propylpentyl)-

Structural Information

Molecular Formula
C9H19NO
SMILES
CCCC(CCC)CNC=O
InChI
InChI=1S/C9H19NO/c1-3-5-9(6-4-2)7-10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
InChIKey
MSRLXJWEQJQIJQ-UHFFFAOYSA-N
Compound name
N-(2-propylpentyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 139.0
[M+Na]+ 180.135888 144.1
[M-H]- 156.139394 138.7
[M+NH4]+ 175.180493 159.7
[M+K]+ 196.109828 143.4
[M+H-H2O]+ 140.143930 133.6
[M+HCOO]- 202.144871 162.2
[M+CH3COO]- 216.160521 183.0
[M+Na-2H]- 178.121336 143.3
[M]+ 157.14612142 140.6
[M]- 157.14721858 140.6
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

patents stripe