CID 82410

N-(1,1,3,3-tetramethylbutyl)formamide

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)CC(C)(C)NC=O
InChI
InChI=1S/C9H19NO/c1-8(2,3)6-9(4,5)10-7-11/h7H,6H2,1-5H3,(H,10,11)
InChIKey
NBXAPOVFSGOATB-UHFFFAOYSA-N
Compound name
N-(2,4,4-trimethylpentan-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

157.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.7
[M+Na]+ 180.135888 144.1
[M-H]- 156.139394 138.2
[M+NH4]+ 175.180493 158.9
[M+K]+ 196.109828 143.8
[M+H-H2O]+ 140.143930 133.8
[M+HCOO]- 202.144871 158.9
[M+CH3COO]- 216.160521 182.2
[M+Na-2H]- 178.121336 144.9
[M]+ 157.14612142 139.0
[M]- 157.14721858 139.0
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