CID 12975

N,n-dibutylformamide

Structural Information

Molecular Formula
C9H19NO
SMILES
CCCCN(CCCC)C=O
InChI
InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKey
NZMAJUHVSZBJHL-UHFFFAOYSA-N
Compound name
N,N-dibutylformamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

10481
Patents

157.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 138.2
[M+Na]+ 180.13589 143.8
[M-H]- 156.13939 139.5
[M+NH4]+ 175.18049 159.8
[M+K]+ 196.10983 144.1
[M+H-H2O]+ 140.14393 132.7
[M+HCOO]- 202.14487 163.0
[M+CH3COO]- 216.16052 185.7
[M+Na-2H]- 178.12134 143.2
[M]+ 157.14612 141.9
[M]- 157.14722 141.9
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