CID 90208

N-(1,1-dimethylpropyl)formamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CCC(C)(C)NC=O
InChI
InChI=1S/C6H13NO/c1-4-6(2,3)7-5-8/h5H,4H2,1-3H3,(H,7,8)
InChIKey
NQHJHACNRXGUQU-UHFFFAOYSA-N
Compound name
N-(2-methylbutan-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

746
Patents

115.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.4
[M+Na]+ 138.08894 131.5
[M-H]- 114.09244 125.0
[M+NH4]+ 133.13354 147.0
[M+K]+ 154.06288 131.5
[M+H-H2O]+ 98.096980 120.3
[M+HCOO]- 160.09792 148.1
[M+CH3COO]- 174.11357 173.3
[M+Na-2H]- 136.07439 132.3
[M]+ 115.09917 125.1
[M]- 115.10027 125.1
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