CID 16217248

N-(1-pentyl)formamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CCCCCNC=O
InChI
InChI=1S/C6H13NO/c1-2-3-4-5-7-6-8/h6H,2-5H2,1H3,(H,7,8)
InChIKey
UBKOTQBYKQFINX-UHFFFAOYSA-N
Compound name
N-pentylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19436
Patents

115.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.3
[M+Na]+ 138.08894 130.9
[M-H]- 114.09244 124.5
[M+NH4]+ 133.13354 146.8
[M+K]+ 154.06288 130.6
[M+H-H2O]+ 98.096980 119.5
[M+HCOO]- 160.09792 149.6
[M+CH3COO]- 174.11357 173.0
[M+Na-2H]- 136.07439 131.7
[M]+ 115.09917 125.5
[M]- 115.10027 125.5
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.