CID 75770

2591-76-6

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)CN(CC(C)C)C=O
InChI
InChI=1S/C9H19NO/c1-8(2)5-10(7-11)6-9(3)4/h7-9H,5-6H2,1-4H3
InChIKey
NTYICSDTCGMBQM-UHFFFAOYSA-N
Compound name
N,N-bis(2-methylpropyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1073
Patents

157.14667 Da
Monoisotopic Mass

2.4
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 140.4
[M+NH4]+ 175.180493 160.4
[M+K]+ 196.109828 145.3
[M+H-H2O]+ 140.143930 133.6
[M+HCOO]- 202.144871 161.8
[M+CH3COO]- 216.160521 187.4
[M+Na-2H]- 178.121336 141.4
[M]+ 157.14612142 141.3
[M]- 157.14721858 141.3
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