CID 221968

N-butyl-2-methylpropanamide

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCCNC(=O)C(C)C
InChI
InChI=1S/C8H17NO/c1-4-5-6-9-8(10)7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKey
GZAROOOHRGKEPC-UHFFFAOYSA-N
Compound name
N-butyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1567
Patents

143.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 135.1
[M+Na]+ 166.120228 140.5
[M-H]- 142.123734 135.2
[M+NH4]+ 161.164833 156.4
[M+K]+ 182.094168 140.5
[M+H-H2O]+ 126.128270 130.1
[M+HCOO]- 188.129211 157.7
[M+CH3COO]- 202.144861 180.1
[M+Na-2H]- 164.105676 138.7
[M]+ 143.13046142 135.6
[M]- 143.13155858 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe