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

19411
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

literature stripe

Patent stripe

patents stripe