CID 252521

1190-31-4

Structural Information

Molecular Formula
C10H21NO
SMILES
CCCCCC(=O)NC(C)(C)C
InChI
InChI=1S/C10H21NO/c1-5-6-7-8-9(12)11-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKey
IIDVPTZPTHTXSC-UHFFFAOYSA-N
Compound name
N-tert-butylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

171.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.16959 143.5
[M+Na]+ 194.15153 148.9
[M-H]- 170.15503 143.6
[M+NH4]+ 189.19613 164.1
[M+K]+ 210.12547 148.4
[M+H-H2O]+ 154.15957 138.8
[M+HCOO]- 216.16051 165.0
[M+CH3COO]- 230.17616 184.9
[M+Na-2H]- 192.13698 148.1
[M]+ 171.16176 145.0
[M]- 171.16286 145.0
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

No patent data available for this compound.