CID 138844

6830-83-7

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)(C)C(=O)NC
InChI
InChI=1S/C6H13NO/c1-6(2,3)5(8)7-4/h1-4H3,(H,7,8)
InChIKey
QMKKJBRRKIKWFK-UHFFFAOYSA-N
Compound name
N,2,2-trimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2521
Patents

115.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.8
[M+Na]+ 138.08894 131.9
[M-H]- 114.09244 125.6
[M+NH4]+ 133.13354 147.6
[M+K]+ 154.06288 132.4
[M+H-H2O]+ 98.096980 120.9
[M+HCOO]- 160.09792 147.6
[M+CH3COO]- 174.11357 172.7
[M+Na-2H]- 136.07439 131.5
[M]+ 115.09917 124.7
[M]- 115.10027 124.7
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